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Successful queries: 30
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Query Database Info Chemical IDs
1-1

Chemical Structure Image
DB WDI
Derwent World Drug Index, Thomson
Release 2006-02-00
ID MORPHINE
uuuuu   DCD43BC3B96DD381-uuuuu-01
FICuS   862BD7F13DD8879B-FICuS-01
FICTS   862BD7F13DD8879B-FICTS-01
Formula   C17H19NO3
InChI   InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-1...
InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
InChIKey   InChIKey=BQJCRHHNABKAKU-KBQPJGBKSA-N

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MORPHINE
Original ID
MORPHINE
3-1

Chemical Structure Image
DB DSSTox CPDBAS
Carcinogenic Potency Database Summary Tables - All Species, DSSTox, EPA
Release 2006-04-00
ID 999
uuuuu   A74F21A9027A4330-uuuuu-01
FICuS   A74F21A9027A4330-FICuS-01
FICTS   A74F21A9027A4330-FICTS-01
Formula   C5H11N3O2
InChI   InChI=1S/C5H11N3O2/c1-4(2)3-8(7-10)5(6)9...
InChI=1S/C5H11N3O2/c1-4(2)3-8(7-10)5(6)9/h4H,3H2,1-2H3,(H2,6,9)
InChIKey   InChIKey=SRSYSQPJIQFKKN-UHFFFAOYSA-N

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999
Original ID
999
3-2

Chemical Structure Image
DB ECOTOX
EPA ECOTOX database of single-chemical toxicity for aquatic and terrestrial life
Release 2004-04-00
ID 999
uuuuu   CC74E622865FE789-uuuuu-01
FICuS   CC74E622865FE789-FICuS-01
FICTS   CC74E622865FE789-FICTS-01
Formula   C4H8Br2
InChI   InChI=1S/C4H8Br2/c1-4(2,6)3-5/h3H2,1-2H3
InChI=1S/C4H8Br2/c1-4(2,6)3-5/h3H2,1-2H3
InChIKey   InChIKey=SDTXSEXYPROZSZ-UHFFFAOYSA-N

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999
Original ID
999
3-3

Chemical Structure Image
DB FDA Genet/Reprod/Carcino
Genetic Toxicity, Reproductive and Development Toxicity, and Carcinogenicity Database, FDA/CDER
Release 2006-01-00
ID 999
uuuuu   2E9C43E8AD4C65C5-uuuuu-01
FICuS   351D7EBCBB57DAC3-FICuS-01
FICTS   351D7EBCBB57DAC3-FICTS-01
Formula   C2H2BrClO2
InChI   InChI=1S/C2H2BrClO2/c3-1(4)2(5)6/h1H,(H,...
InChI=1S/C2H2BrClO2/c3-1(4)2(5)6/h1H,(H,5,6)/t1-/m0/s1
InChIKey   InChIKey=GEHJBWKLJVFKPS-SFOWXEAESA-N

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999
Original ID
999
3-4

Chemical Structure Image
DB Jubilant Kinase Inhibitors
Database of known kinase inhibitors, Jubilant Biosys Ltd., Bangalore, India
Release 2004-12-00
ID 999
uuuuu   D7BEA022E899F1D1-uuuuu-01
FICuS   D7BEA022E899F1D1-FICuS-01
FICTS   D7BEA022E899F1D1-FICTS-01
Formula   C30H27FN6O3S
InChI   InChI=1S/C30H27FN6O3S/c31-22-11-9-21(10-...
InChI=1S/C30H27FN6O3S/c31-22-11-9-21(10-12-22)28-29(37(20-34-28)24-13-16-32-17-14-24)27-15-18-33-30(35-27)40-25-6-4-5-23(19-25)36-41(38,39)26-7-2-1-3-8-26/h1-12,15,18-20,24,32,36H,13-14,16-17H2
InChIKey   InChIKey=CMNXTTBPOMGQAD-UHFFFAOYSA-N

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999
Original ID
999
3-5

Chemical Structure Image
DB MDPI
Molecular Diversity Preservation International (MDPI) stock room samples, Basel, CH
Release 2004-11-00
ID 999
uuuuu   8C747B597F01ACCF-uuuuu-01
FICuS   940E16F48C739EFD-FICuS-01
FICTS   940E16F48C739EFD-FICTS-01
Formula   C21H30O2
InChI   InChI=1S/C21H30O2/c1-4-21(23)12-9-18-16-...
InChI=1S/C21H30O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,5,15-18,22-23H,6-13H2,2-3H3/t15?,16?,17?,18?,19?,20?,21-/m0/s1
InChIKey   InChIKey=VGJUOWGYQZYCII-QAQLXXJBSA-N

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999
Original ID
999
3-6

Chemical Structure Image
DB NCI Open Database
NCI Open Database, DTP and PubChem releases combined by CADD/LMC/NCI
Release 2006-07-00
ID 999
uuuuu   579B3F673E111AC6-uuuuu-01
FICuS   8F67C44BF0370FDA-FICuS-01
FICTS   8F67C44BF0370FDA-FICTS-01
Formula   C13H11N3O2
InChI   InChI=1S/C13H11N3O2/c17-16(18)13-9-5-4-8...
InChI=1S/C13H11N3O2/c17-16(18)13-9-5-4-8-12(13)15-14-10-11-6-2-1-3-7-11/h1-10,15H/b14-10+
InChIKey   InChIKey=AOYCIAVJXPWISL-GXDHUFHOSA-N

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999
Original ID
999
3-7

Chemical Structure Image
DB BIND (PubChem)
Biomolecular Interaction Network Database, Unleashed Informatics Ltd. (PubChem)
Release 2007-07-26
ID 999 (841520)
uuuuu   98E8D8DCD43C22A7-uuuuu-01
FICuS   4D09637B9019451A-FICuS-01
FICTS   4D09637B9019451A-FICTS-01
Formula   NO3
InChI   InChI=1S/HNO3/c2-1-4-3/h3H/p-1
InChI=1S/HNO3/c2-1-4-3/h3H/p-1
InChIKey   InChIKey=CMFNMSMUKZHDEY-UHFFFAOYSA-M

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999
Original ID
999
3-8

Chemical Structure Image
DB BindingDB (PubChem)
BindingDB measured binding affinities database, Mike Gilson, CARB (PubChem)
Release 2007-07-26
ID 999 (8030880)
uuuuu   CBE7AA124954C7DE-uuuuu-01
FICuS   CBE7AA124954C7DE-FICuS-01
FICTS   97ECBF0817518A00-FICTS-01
Formula   C18H15NO4
InChI   InChI=1S/C18H15NO4/c20-17-13-8-4-5-9-16(...
InChI=1S/C18H15NO4/c20-17-13-8-4-5-9-16(13)23-18(21)14(17)10-11-15(19-22)12-6-2-1-3-7-12/h1-9,20,22H,10-11H2/b19-15-
InChIKey   InChIKey=UALCQEANZSARKM-CYVLTUHYSA-N

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999
Original ID
999
3-9

Chemical Structure Image
DB CambridgeSoft (PubChem)
Structures from CambridgeSoft chemical databases (PubChem)
Release 2007-07-26
ID 999 (7995796)
uuuuu   D10E6506BB53F44A-uuuuu-01
FICuS   D10E6506BB53F44A-FICuS-01
FICTS   D10E6506BB53F44A-FICTS-01
Formula   C21H14O4
InChI   InChI=1S/C21H14O4/c22-17-11-16-18(20(24)...
InChI=1S/C21H14O4/c22-17-11-16-18(20(24)14-9-5-4-8-13(14)19(16)23)21(25)15(17)10-12-6-2-1-3-7-12/h1-9,11,22,25H,10H2
InChIKey   InChIKey=FQURQNLGRCILOM-UHFFFAOYSA-N

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999
Original ID
999
3-10

Chemical Structure Image
DB ChemSpider (PubChem)
Aggregated database of the ChemSpider chemistry search engine, Anthony Williams
Release 2007-07-26
ID 999 (24439381)
uuuuu   AF5494133A04C117-uuuuu-01
FICuS   B15F3C3CE5FEBD6C-FICuS-01
FICTS   B15F3C3CE5FEBD6C-FICTS-01
Formula   C17H21ClNO
InChI   InChI=1S/C17H21NO.Cl/c1-14-8-6-7-11-16(1...
InChI=1S/C17H21NO.Cl/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15;/h3-11,17-18H,12-13H2,1-2H3;/t17-;/m1./s1
InChIKey   InChIKey=NWKSDKXMAAZQFP-UNTBIKODSA-N

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999
Original ID
999
3-11

Chemical Structure Image
DB DiscoveryGate (PubChem)
Compounds from Elsevier MDL DiscoveryGate (PubChem)
Release 2007-07-26
ID 999 (8150918)
uuuuu   18EE6AC360F28E29-uuuuu-01
FICuS   18EE6AC360F28E29-FICuS-01
FICTS   18EE6AC360F28E29-FICTS-01
Formula   C8H8O2
InChI   InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/...
InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
InChIKey   InChIKey=WLJVXDMOQOGPHL-UHFFFAOYSA-N

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999
Original ID
999
3-12

Chemical Structure Image
DB DTP-NCI (PubChem)
Open Database of the Developmental Therapeutics Program, NCI, NIH
Release 2007-07-26
ID 999 (67863)
uuuuu   579B3F673E111AC6-uuuuu-01
FICuS   8F67C44BF0370FDA-FICuS-01
FICTS   8F67C44BF0370FDA-FICTS-01
Formula   C13H11N3O2
InChI   InChI=1S/C13H11N3O2/c17-16(18)13-9-5-4-8...
InChI=1S/C13H11N3O2/c17-16(18)13-9-5-4-8-12(13)15-14-10-11-6-2-1-3-7-11/h1-10,15H/b14-10+
InChIKey   InChIKey=AOYCIAVJXPWISL-GXDHUFHOSA-N

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999
Original ID
999
3-13

Chemical Structure Image
DB EPA DSSTox (PubChem)
Distributed Structure-Searchable Toxicity Database Network of the EPA Computational Toxicology Program (PubChem)
Release 2007-07-26
ID 999 (7852491)
uuuuu   A74F21A9027A4330-uuuuu-01
FICuS   A74F21A9027A4330-FICuS-01
FICTS   A74F21A9027A4330-FICTS-01
Formula   C5H11N3O2
InChI   InChI=1S/C5H11N3O2/c1-4(2)3-8(7-10)5(6)9...
InChI=1S/C5H11N3O2/c1-4(2)3-8(7-10)5(6)9/h4H,3H2,1-2H3,(H2,6,9)
InChIKey   InChIKey=SRSYSQPJIQFKKN-UHFFFAOYSA-N

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999
Original ID
999
3-14

Chemical Structure Image
DB Wombat 2005.02
Literature-derived biological activities database WOMBAT, Sunset Molecular Discovery, LLC
Release 2005-02-00
ID 999
uuuuu   85F6172FEAC77154-uuuuu-01
FICuS   92E573D9491F127B-FICuS-01
FICTS   D28F436D70708388-FICTS-01
Formula   C19H22FN2O5P
InChI   InChI=1S/C19H22FN2O5P/c1-26-16-6-8-17(9-...
InChI=1S/C19H22FN2O5P/c1-26-16-6-8-17(9-7-16)28(25,27-11-10-20)22-13-15-5-3-2-4-14(15)12-18(22)19(23)21-24/h2-9,18,24H,10-13H2,1H3,(H,21,23)/t18-,28+/m1/s1
InChIKey   InChIKey=KFUADVZPCULIED-WRHNGFHOSA-N

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999
Original ID
999
3-15

Chemical Structure Image
DB MOLI (PubChem)
NIH Roadmap Molecular Imaging and Contrast Agent Database, Anne Menkens, NCI, NIH (PubChem)
Release 2007-07-26
ID MOLI001049 (999)
uuuuu   40DA8DC20B605F98-uuuuu-01
FICuS   4A02998B35DA9374-FICuS-01
FICTS   4A02998B35DA9374-FICTS-01
Formula   C8H11NO
InChI   InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7...
InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2/i6-1
InChIKey   InChIKey=ULSIYEODSMZIPX-KWCOIAHCSA-N

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999
Original ID
999
9-1

Chemical Structure Image
DB MOLI (PubChem)
NIH Roadmap Molecular Imaging and Contrast Agent Database, Anne Menkens, NCI, NIH (PubChem)
Release 2007-07-26
ID MOLI000002 (1)
uuuuu   C2C05680DB9CF5EB-uuuuu-01
FICuS   FBCE954E3998A52E-FICuS-01
FICTS   5A8F072308A08506-FICTS-01
Formula   C9H12FN5O4
InChI   InChI=1S/C9H12FN5O4/c10-8-12-5-6(13-9(11...
InChI=1S/C9H12FN5O4/c10-8-12-5-6(13-9(11)14-7(5)18)15(8)3-19-4(1-16)2-17/h4,16-17H,1-3H2,(H3,11,13,14,18)/i10-1
InChIKey   InChIKey=SFEGCRVCWQRJQJ-LMANFOLPSA-N

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0.6172
Original ID
0.6172
21-1

Chemical Structure Image
DB MOLI (PubChem)
NIH Roadmap Molecular Imaging and Contrast Agent Database, Anne Menkens, NCI, NIH (PubChem)
Release 2007-07-26
ID MOLI000002 (1)
uuuuu   C2C05680DB9CF5EB-uuuuu-01
FICuS   FBCE954E3998A52E-FICuS-01
FICTS   5A8F072308A08506-FICTS-01
Formula   C9H12FN5O4
InChI   InChI=1S/C9H12FN5O4/c10-8-12-5-6(13-9(11...
InChI=1S/C9H12FN5O4/c10-8-12-5-6(13-9(11)14-7(5)18)15(8)3-19-4(1-16)2-17/h4,16-17H,1-3H2,(H3,11,13,14,18)/i10-1
InChIKey   InChIKey=SFEGCRVCWQRJQJ-LMANFOLPSA-N

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1.2000
Original ID
1.2000
24-1

Chemical Structure Image
DB MOLI (PubChem)
NIH Roadmap Molecular Imaging and Contrast Agent Database, Anne Menkens, NCI, NIH (PubChem)
Release 2007-07-26
ID MOLI000002 (1)
uuuuu   C2C05680DB9CF5EB-uuuuu-01
FICuS   FBCE954E3998A52E-FICuS-01
FICTS   5A8F072308A08506-FICTS-01
Formula   C9H12FN5O4
InChI   InChI=1S/C9H12FN5O4/c10-8-12-5-6(13-9(11...
InChI=1S/C9H12FN5O4/c10-8-12-5-6(13-9(11)14-7(5)18)15(8)3-19-4(1-16)2-17/h4,16-17H,1-3H2,(H3,11,13,14,18)/i10-1
InChIKey   InChIKey=SFEGCRVCWQRJQJ-LMANFOLPSA-N

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1.3034
Original ID
1.3034
26-1

Chemical Structure Image
DB MOLI (PubChem)
NIH Roadmap Molecular Imaging and Contrast Agent Database, Anne Menkens, NCI, NIH (PubChem)
Release 2007-07-26
ID MOLI000003 (2)
uuuuu   A18A5EC3621FD516-uuuuu-01
FICuS   E8C042C93E7F40E4-FICuS-01
FICTS   E8C042C93E7F40E4-FICTS-01
Formula   C66H109ClN13O17P2S3Tc
InChI   InChI=1S/C66H109N13O15P2S3.Cl.2O.Tc/c1-4...
InChI=1S/C66H109N13O15P2S3.Cl.2O.Tc/c1-42(2)31-53(64(92)77-51(61(68)89)23-29-97-6)78-65(93)54(33-46-35-69-37-72-46)76-59(88)36-71-66(94)60(43(3)4)79-62(90)44(5)73-63(91)48(52-32-45-15-7-9-17-49(45)74-52)34-55(84)50(20-21-56(67)85)75-58(87)19-11-12-24-70-57(86)18-10-8-16-47(99-28-14-26-96(40-82)41-83)22-30-98-27-13-25-95(38-80)39-81;;;;/h7,9,15,17,32,35,37,42-44,47-48,50-51,53-54,60,74,80-83H,8,10-14,16,18-31,33-34,36,38-41H2,1-6H3,(H2,67,85)(H2,68,89)(H,69,72)(H,70,86)(H,71,94)(H,73,91)(H,75,87)(H,76,88)(H,77,92)(H,78,93)(H,79,90);;;;/q;;;;+3/t44-,47?,48-,50-,51-,53-,54-,60-;;;;/m1..../s1/i;;;;1+1
InChIKey   InChIKey=QUHRGOCMYVCXGD-ZQBCHEJFSA-N

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1.5966
Original ID
1.5966
38-1

Chemical Structure Image
DB MOLI (PubChem)
NIH Roadmap Molecular Imaging and Contrast Agent Database, Anne Menkens, NCI, NIH (PubChem)
Release 2007-07-26
ID MOLI000002 (1)
uuuuu   C2C05680DB9CF5EB-uuuuu-01
FICuS   FBCE954E3998A52E-FICuS-01
FICTS   5A8F072308A08506-FICTS-01
Formula   C9H12FN5O4
InChI   InChI=1S/C9H12FN5O4/c10-8-12-5-6(13-9(11...
InChI=1S/C9H12FN5O4/c10-8-12-5-6(13-9(11)14-7(5)18)15(8)3-19-4(1-16)2-17/h4,16-17H,1-3H2,(H3,11,13,14,18)/i10-1
InChIKey   InChIKey=SFEGCRVCWQRJQJ-LMANFOLPSA-N

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0.9207
Original ID
0.9207
42-1

Chemical Structure Image
DB MOLI (PubChem)
NIH Roadmap Molecular Imaging and Contrast Agent Database, Anne Menkens, NCI, NIH (PubChem)
Release 2007-07-26
ID MOLI000005 (3)
uuuuu   319836A31E61734D-uuuuu-01
FICuS   FE107C3E3EE4A78F-FICuS-01
FICTS   FE107C3E3EE4A78F-FICTS-01
Formula   C23H29FN2O
InChI   InChI=1S/C23H29FN2O/c24-21-8-6-18(7-9-21...
InChI=1S/C23H29FN2O/c24-21-8-6-18(7-9-21)16-25-13-12-23(27)22(17-25)26-14-10-20(11-15-26)19-4-2-1-3-5-19/h1-9,20,22-23,27H,10-17H2/t22-,23-/m1/s1/i24-1
InChIKey   InChIKey=HPZHSYBCGLDRCT-YRPGOWEVSA-N

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2.6690
Original ID
2.6690
44-1

Chemical Structure Image
DB MOLI (PubChem)
NIH Roadmap Molecular Imaging and Contrast Agent Database, Anne Menkens, NCI, NIH (PubChem)
Release 2007-07-26
ID MOLI000003 (2)
uuuuu   A18A5EC3621FD516-uuuuu-01
FICuS   E8C042C93E7F40E4-FICuS-01
FICTS   E8C042C93E7F40E4-FICTS-01
Formula   C66H109ClN13O17P2S3Tc
InChI   InChI=1S/C66H109N13O15P2S3.Cl.2O.Tc/c1-4...
InChI=1S/C66H109N13O15P2S3.Cl.2O.Tc/c1-42(2)31-53(64(92)77-51(61(68)89)23-29-97-6)78-65(93)54(33-46-35-69-37-72-46)76-59(88)36-71-66(94)60(43(3)4)79-62(90)44(5)73-63(91)48(52-32-45-15-7-9-17-49(45)74-52)34-55(84)50(20-21-56(67)85)75-58(87)19-11-12-24-70-57(86)18-10-8-16-47(99-28-14-26-96(40-82)41-83)22-30-98-27-13-25-95(38-80)39-81;;;;/h7,9,15,17,32,35,37,42-44,47-48,50-51,53-54,60,74,80-83H,8,10-14,16,18-31,33-34,36,38-41H2,1-6H3,(H2,67,85)(H2,68,89)(H,69,72)(H,70,86)(H,71,94)(H,73,91)(H,75,87)(H,76,88)(H,77,92)(H,78,93)(H,79,90);;;;/q;;;;+3/t44-,47?,48-,50-,51-,53-,54-,60-;;;;/m1..../s1/i;;;;1+1
InChIKey   InChIKey=QUHRGOCMYVCXGD-ZQBCHEJFSA-N

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1.6828
Original ID
1.6828
45-1

Chemical Structure Image
DB MOLI (PubChem)
NIH Roadmap Molecular Imaging and Contrast Agent Database, Anne Menkens, NCI, NIH (PubChem)
Release 2007-07-26
ID MOLI000002 (1)
uuuuu   C2C05680DB9CF5EB-uuuuu-01
FICuS   FBCE954E3998A52E-FICuS-01
FICTS   5A8F072308A08506-FICTS-01
Formula   C9H12FN5O4
InChI   InChI=1S/C9H12FN5O4/c10-8-12-5-6(13-9(11...
InChI=1S/C9H12FN5O4/c10-8-12-5-6(13-9(11)14-7(5)18)15(8)3-19-4(1-16)2-17/h4,16-17H,1-3H2,(H3,11,13,14,18)/i10-1
InChIKey   InChIKey=SFEGCRVCWQRJQJ-LMANFOLPSA-N

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0.5276
Original ID
0.5276
48-1

Chemical Structure Image
DB MOLI (PubChem)
NIH Roadmap Molecular Imaging and Contrast Agent Database, Anne Menkens, NCI, NIH (PubChem)
Release 2007-07-26
ID MOLI000005 (3)
uuuuu   319836A31E61734D-uuuuu-01
FICuS   FE107C3E3EE4A78F-FICuS-01
FICTS   FE107C3E3EE4A78F-FICTS-01
Formula   C23H29FN2O
InChI   InChI=1S/C23H29FN2O/c24-21-8-6-18(7-9-21...
InChI=1S/C23H29FN2O/c24-21-8-6-18(7-9-21)16-25-13-12-23(27)22(17-25)26-14-10-20(11-15-26)19-4-2-1-3-5-19/h1-9,20,22-23,27H,10-17H2/t22-,23-/m1/s1/i24-1
InChIKey   InChIKey=HPZHSYBCGLDRCT-YRPGOWEVSA-N

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2.7586
Original ID
2.7586
50-1

Chemical Structure Image
DB MOLI (PubChem)
NIH Roadmap Molecular Imaging and Contrast Agent Database, Anne Menkens, NCI, NIH (PubChem)
Release 2007-07-26
ID MOLI000003 (2)
uuuuu   A18A5EC3621FD516-uuuuu-01
FICuS   E8C042C93E7F40E4-FICuS-01
FICTS   E8C042C93E7F40E4-FICTS-01
Formula   C66H109ClN13O17P2S3Tc
InChI   InChI=1S/C66H109N13O15P2S3.Cl.2O.Tc/c1-4...
InChI=1S/C66H109N13O15P2S3.Cl.2O.Tc/c1-42(2)31-53(64(92)77-51(61(68)89)23-29-97-6)78-65(93)54(33-46-35-69-37-72-46)76-59(88)36-71-66(94)60(43(3)4)79-62(90)44(5)73-63(91)48(52-32-45-15-7-9-17-49(45)74-52)34-55(84)50(20-21-56(67)85)75-58(87)19-11-12-24-70-57(86)18-10-8-16-47(99-28-14-26-96(40-82)41-83)22-30-98-27-13-25-95(38-80)39-81;;;;/h7,9,15,17,32,35,37,42-44,47-48,50-51,53-54,60,74,80-83H,8,10-14,16,18-31,33-34,36,38-41H2,1-6H3,(H2,67,85)(H2,68,89)(H,69,72)(H,70,86)(H,71,94)(H,73,91)(H,75,87)(H,76,88)(H,77,92)(H,78,93)(H,79,90);;;;/q;;;;+3/t44-,47?,48-,50-,51-,53-,54-,60-;;;;/m1..../s1/i;;;;1+1
InChIKey   InChIKey=QUHRGOCMYVCXGD-ZQBCHEJFSA-N

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2.4724
Original ID
2.4724
60-1

Chemical Structure Image
DB MOLI (PubChem)
NIH Roadmap Molecular Imaging and Contrast Agent Database, Anne Menkens, NCI, NIH (PubChem)
Release 2007-07-26
ID MOLI000005 (3)
uuuuu   319836A31E61734D-uuuuu-01
FICuS   FE107C3E3EE4A78F-FICuS-01
FICTS   FE107C3E3EE4A78F-FICTS-01
Formula   C23H29FN2O
InChI   InChI=1S/C23H29FN2O/c24-21-8-6-18(7-9-21...
InChI=1S/C23H29FN2O/c24-21-8-6-18(7-9-21)16-25-13-12-23(27)22(17-25)26-14-10-20(11-15-26)19-4-2-1-3-5-19/h1-9,20,22-23,27H,10-17H2/t22-,23-/m1/s1/i24-1
InChIKey   InChIKey=HPZHSYBCGLDRCT-YRPGOWEVSA-N

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3.4655
Original ID
3.4655
63-1

Chemical Structure Image
DB MOLI (PubChem)
NIH Roadmap Molecular Imaging and Contrast Agent Database, Anne Menkens, NCI, NIH (PubChem)
Release 2007-07-26
ID MOLI000005 (3)
uuuuu   319836A31E61734D-uuuuu-01
FICuS   FE107C3E3EE4A78F-FICuS-01
FICTS   FE107C3E3EE4A78F-FICTS-01
Formula   C23H29FN2O
InChI   InChI=1S/C23H29FN2O/c24-21-8-6-18(7-9-21...
InChI=1S/C23H29FN2O/c24-21-8-6-18(7-9-21)16-25-13-12-23(27)22(17-25)26-14-10-20(11-15-26)19-4-2-1-3-5-19/h1-9,20,22-23,27H,10-17H2/t22-,23-/m1/s1/i24-1
InChIKey   InChIKey=HPZHSYBCGLDRCT-YRPGOWEVSA-N

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3.3000
Original ID
3.3000
65-1

Chemical Structure Image
DB MOLI (PubChem)
NIH Roadmap Molecular Imaging and Contrast Agent Database, Anne Menkens, NCI, NIH (PubChem)
Release 2007-07-26
ID MOLI000006 (4)
uuuuu   DB0BD0BD3EF975AF-uuuuu-01
FICuS   BBD486A676812FB8-FICuS-01
FICTS   BBD486A676812FB8-FICTS-01
Formula   C25H29FN2O
InChI   InChI=1S/C25H29FN2O/c26-21-7-5-19(6-8-21...
InChI=1S/C25H29FN2O/c26-21-7-5-19(6-8-21)17-27-14-10-24(29)23(18-27)28-15-12-25(13-16-28)11-9-20-3-1-2-4-22(20)25/h1-9,11,23-24,29H,10,12-18H2/t23-,24-/m1/s1/i26-1
InChIKey   InChIKey=XIPWKUWYGVRFON-PWSGCDAXSA-N

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3.8759
Original ID
3.8759
74-1

Chemical Structure Image
DB MOLI (PubChem)
NIH Roadmap Molecular Imaging and Contrast Agent Database, Anne Menkens, NCI, NIH (PubChem)
Release 2007-07-26
ID MOLI000296 (285)
uuuuu   400CB2FF2347B5EE-uuuuu-01
FICuS   406AB7FB4F056D45-FICuS-01
FICTS   406AB7FB4F056D45-FICTS-01
Formula   C4H10N2O2
InChI   InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,...
InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1/i2-1
InChIKey   InChIKey=OGNSCSPNOLGXSM-HWMMAVKLSA-N

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285.341
Original ID
285.341
75-1

Chemical Structure Image
DB BioCyc (PubChem)
BioCyc Open Chemical Database (PubChem)
Release 2007-07-26
ID 3-ENOLPYRUVYL-SHIKIMATE-5P (1990)
uuuuu   05C07C84D133AE09-uuuuu-01
FICuS   05C07C84D133AE09-FICuS-01
FICTS   05C07C84D133AE09-FICTS-01
Formula   C10H13O10P
InChI   InChI=1S/C10H13O10P/c1-4(9(12)13)19-6-2-...
InChI=1S/C10H13O10P/c1-4(9(12)13)19-6-2-5(10(14)15)3-7(8(6)11)20-21(16,17)18/h3,6-8,11H,1-2H2,(H,12,13)(H,14,15)(H2,16,17,18)
InChIKey   InChIKey=QUTYKIXIUDQOLK-UHFFFAOYSA-N

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1990.1-1999.1
Original ID
1990.1-1999.1
77-1

Chemical Structure Image
DB MOLI (PubChem)
NIH Roadmap Molecular Imaging and Contrast Agent Database, Anne Menkens, NCI, NIH (PubChem)
Release 2007-07-26
ID MOLI000061 (57)
uuuuu   C4658538C1FE45BD-uuuuu-01
FICuS   3864D5E947E5BBF7-FICuS-01
FICTS   3864D5E947E5BBF7-FICTS-01
Formula   C31H33NO7
InChI   InChI=1S/C31H33NO7/c1-4-5-6-20-8-10-23-2...
InChI=1S/C31H33NO7/c1-4-5-6-20-8-10-23-26(18-7-12-24-25(15-18)39-16-38-24)28(31(35)36)27(29(23)32-20)22-11-9-21(37-3)14-19(22)13-17(2)30(33)34/h7-12,14-15,17,26-28H,4-6,13,16H2,1-3H3,(H,33,34)(H,35,36)/t17-,26-,27-,28+/m0/s1/i3-1
InChIKey   InChIKey=IUHMIOAKWHUFKU-FLAUKHFXSA-N

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57-27-2
Original ID
57-27-2
106-1

Chemical Structure Image
DB WDI
Derwent World Drug Index, Thomson
Release 2006-02-00
ID OPIUM
uuuuu   0000000000000000-uuuuu-01
FICuS   0000000000000000-FICuS-01
FICTS   0000000000000000-FICTS-01
Formula  
InChI   InChI=
InChI=
InChIKey   InChIKey=--

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OPIUM
Original ID
OPIUM
158-1

Chemical Structure Image
DB WDI
Derwent World Drug Index, Thomson
Release 2006-02-00
ID LEAD
uuuuu   5B3AD9D65F26752E-uuuuu-01
FICuS   5B3AD9D65F26752E-FICuS-01
FICTS   5B3AD9D65F26752E-FICTS-01
Formula   Pb
InChI   InChI=1S/Pb
InChI=1S/Pb
InChIKey   InChIKey=WABPQHHGFIMREM-UHFFFAOYSA-N

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lead
Original ID
lead
162-1

Chemical Structure Image
DB WDI
Derwent World Drug Index, Thomson
Release 2006-02-00
ID MORPHINE
uuuuu   DCD43BC3B96DD381-uuuuu-01
FICuS   862BD7F13DD8879B-FICuS-01
FICTS   862BD7F13DD8879B-FICTS-01
Formula   C17H19NO3
InChI   InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-1...
InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
InChIKey   InChIKey=BQJCRHHNABKAKU-KBQPJGBKSA-N

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morphine
Original ID
morphine
263-1

Chemical Structure Image
DB WDI
Derwent World Drug Index, Thomson
Release 2006-02-00
ID KAOLIN
uuuuu   3E940E37165AE5BE-uuuuu-01
FICuS   47628232824AF293-FICuS-01
FICTS   47628232824AF293-FICTS-01
Formula   AlH2O7Si2
InChI   InChI=1S/Al.H2O5Si2.2O/c;1-6(2)5-7(3)4;;...
InChI=1S/Al.H2O5Si2.2O/c;1-6(2)5-7(3)4;;/h;1,3H;;/q+3;;;-1
InChIKey   InChIKey=MIMQMDGNWBDUKG-UHFFFAOYSA-N

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kaolin
Original ID
kaolin
264-1

Chemical Structure Image
DB BioCyc (PubChem)
BioCyc Open Chemical Database (PubChem)
Release 2007-07-26
ID PECTIN (3058)
uuuuu   0000000000000000-uuuuu-01
FICuS   0000000000000000-FICuS-01
FICTS   0000000000000000-FICTS-01
Formula  
InChI   InChI=
InChI=
InChIKey   InChIKey=--

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pectin
Original ID
pectin
264-2

Chemical Structure Image
DB WDI
Derwent World Drug Index, Thomson
Release 2006-02-00
ID PECTIN
uuuuu   0000000000000000-uuuuu-01
FICuS   0000000000000000-FICuS-01
FICTS   0000000000000000-FICTS-01
Formula  
InChI   InChI=
InChI=
InChIKey   InChIKey=--

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pectin
Original ID
pectin
276-1

Chemical Structure Image
DB BioCyc (PubChem)
BioCyc Open Chemical Database (PubChem)
Release 2007-07-26
ID SULFATE (3196)
uuuuu   72F9581CF24175A2-uuuuu-01
FICuS   867B2F41C64BD043-FICuS-01
FICTS   867B2F41C64BD043-FICTS-01
Formula   O4S
InChI   InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/...
InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKey   InChIKey=QAOWNCQODCNURD-UHFFFAOYSA-L

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sulfate
Original ID
sulfate
288-1

Chemical Structure Image
DB BioCyc (PubChem)
BioCyc Open Chemical Database (PubChem)
Release 2007-07-26
ID AMMONIA (2140)
uuuuu   7D2A241AEDC93049-uuuuu-01
FICuS   48CA467001680B40-FICuS-01
FICTS   48CA467001680B40-FICTS-01
Formula   N
InChI   InChI=1S/N
InChI=1S/N
InChIKey   InChIKey=QJGQUHMNIGDVPM-UHFFFAOYSA-N

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ammonia
Original ID
ammonia
288-2

Chemical Structure Image
DB WDI
Derwent World Drug Index, Thomson
Release 2006-02-00
ID AMMONIA
uuuuu   7D2A241AEDC93049-uuuuu-01
FICuS   48CA467001680B40-FICuS-01
FICTS   48CA467001680B40-FICTS-01
Formula   N
InChI   InChI=1S/N
InChI=1S/N
InChIKey   InChIKey=QJGQUHMNIGDVPM-UHFFFAOYSA-N

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ammonia
Original ID
ammonia
290-1

Chemical Structure Image
DB WDI
Derwent World Drug Index, Thomson
Release 2006-02-00
ID CLOVE-OIL
uuuuu   0000000000000000-uuuuu-01
FICuS   0000000000000000-FICuS-01
FICTS   0000000000000000-FICTS-01
Formula  
InChI   InChI=
InChI=
InChIKey   InChIKey=--

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clove-oil
Original ID
clove-oil
291-1

Chemical Structure Image
DB WDI
Derwent World Drug Index, Thomson
Release 2006-02-00
ID CARDAMOM
uuuuu   0000000000000000-uuuuu-01
FICuS   0000000000000000-FICuS-01
FICTS   0000000000000000-FICTS-01
Formula  
InChI   InChI=
InChI=
InChIKey   InChIKey=--

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cardamom
Original ID
cardamom
293-1

Chemical Structure Image
DB WDI
Derwent World Drug Index, Thomson
Release 2006-02-00
ID CINNAMON
uuuuu   0000000000000000-uuuuu-01
FICuS   0000000000000000-FICuS-01
FICTS   0000000000000000-FICTS-01
Formula  
InChI   InChI=
InChI=
InChIKey   InChIKey=--

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cinnamon
Original ID
cinnamon
297-1

Chemical Structure Image
DB WDI
Derwent World Drug Index, Thomson
Release 2006-02-00
ID OPIUM
uuuuu   0000000000000000-uuuuu-01
FICuS   0000000000000000-FICuS-01
FICTS   0000000000000000-FICTS-01
Formula  
InChI   InChI=
InChI=
InChIKey   InChIKey=--

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opium
Original ID
opium
298-1

Chemical Structure Image
DB MOLI (PubChem)
NIH Roadmap Molecular Imaging and Contrast Agent Database, Anne Menkens, NCI, NIH (PubChem)
Release 2007-07-26
ID MOLI000296 (285)
uuuuu   400CB2FF2347B5EE-uuuuu-01
FICuS   406AB7FB4F056D45-FICuS-01
FICTS   406AB7FB4F056D45-FICTS-01
Formula   C4H10N2O2
InChI   InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,...
InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1/i2-1
InChIKey   InChIKey=OGNSCSPNOLGXSM-HWMMAVKLSA-N

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285.345
Original ID
285.345
 
   
 
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