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Successful queries: 11
Displaying results: 11
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Query Database Info Chemical IDs
6-1

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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1.0)
Original ID
1.0)
300-1

Chemical Structure Image
DB WDI
Derwent World Drug Index, Thomson
Release 2006-02-00
ID CAFFEINE
uuuuu   7EADF90967D28C06-uuuuu-01
FICuS   7EADF90967D28C06-FICuS-01
FICTS   7EADF90967D28C06-FICTS-01
Formula   C8H10N4O2
InChI   InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13...
InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
InChIKey   InChIKey=RYYVLZVUVIJVGH-UHFFFAOYSA-N

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Caffeine
Original ID
Caffeine
390-1

Chemical Structure Image
DB MOLI (PubChem)
NIH Roadmap Molecular Imaging and Contrast Agent Database, Anne Menkens, NCI, NIH (PubChem)
Release 2007-07-26
ID MOLI000011 (9)
uuuuu   D23770A868C3526D-uuuuu-01
FICuS   BEF955C5D7856D26-FICuS-01
FICTS   BEF955C5D7856D26-FICTS-01
Formula   ?20HIO
InChI   InChI=1S/I.O.H/i1-2;;
InChI=1S/I.O.H/i1-2;;
InChIKey   InChIKey=CRHTXAWPBRPYQG-XFAAJJICSA-N

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9/9(L)--
Original ID
9/9(L)--
392-1

Chemical Structure Image
DB MOLI (PubChem)
NIH Roadmap Molecular Imaging and Contrast Agent Database, Anne Menkens, NCI, NIH (PubChem)
Release 2007-07-26
ID MOLI000010 (8)
uuuuu   D23770A868C3526D-uuuuu-01
FICuS   5EA3371799161CAD-FICuS-01
FICTS   5EA3371799161CAD-FICTS-01
Formula   ?20HIO
InChI   InChI=1S/I.O.H/i1-4;;
InChI=1S/I.O.H/i1-4;;
InChIKey   InChIKey=CRHTXAWPBRPYQG-ONFWVHKKSA-N

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8/8(L)--
Original ID
8/8(L)--
445-1

Chemical Structure Image
DB MOLI (PubChem)
NIH Roadmap Molecular Imaging and Contrast Agent Database, Anne Menkens, NCI, NIH (PubChem)
Release 2007-07-26
ID MOLI001232 (1174)
uuuuu   F3EF1E63EBEA3808-uuuuu-01
FICuS   1D990FB1D992C756-FICuS-01
FICTS   1D990FB1D992C756-FICTS-01
Formula   C7H9N
InChI   InChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,...
InChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3/i7-1
InChIKey   InChIKey=RZXMPPFPUUCRFN-JZRMKITLSA-N

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1174/1686(ro)(G...
Original ID
1174/1686(ro)(G)--
449-1

Chemical Structure Image
DB MOLI (PubChem)
NIH Roadmap Molecular Imaging and Contrast Agent Database, Anne Menkens, NCI, NIH (PubChem)
Release 2007-07-26
ID MOLI000117 (110)
uuuuu   1A0506665302E15B-uuuuu-01
FICuS   2DA687D8ABCC346D-FICuS-01
FICTS   2DA687D8ABCC346D-FICTS-01
Formula   C17H17ClINO
InChI   InChI=1S/C17H17ClINO/c1-20-6-5-12-8-16(1...
InChI=1S/C17H17ClINO/c1-20-6-5-12-8-16(18)17(21)9-14(12)15(10-20)11-3-2-4-13(19)7-11/h2-4,7-9,15,21H,5-6,10H2,1H3/t15-/m0/s1/i19-2
InChIKey   InChIKey=DUTJKDUWCSYNLM-RRHVOAMRSA-N

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110/200(L)--
Original ID
110/200(L)--
453-1

Chemical Structure Image
DB MOLI (PubChem)
NIH Roadmap Molecular Imaging and Contrast Agent Database, Anne Menkens, NCI, NIH (PubChem)
Release 2007-07-26
ID MOLI000109 (104)
uuuuu   5C3A0DC61579CD8E-uuuuu-01
FICuS   639382FE073C66D0-FICuS-01
FICTS   639382FE073C66D0-FICTS-01
Formula   C22H27FO2
InChI   InChI=1S/C22H27FO2/c1-4-13-12-21(3)18(11...
InChI=1S/C22H27FO2/c1-4-13-12-21(3)18(11-19(23)22(21,25)5-2)17-8-6-14-10-15(24)7-9-16(14)20(13)17/h2,7,9-10,13,17-20,24-25H,4,6,8,11-12H2,1,3H3/t13-,17-,18-,19+,20+,21-,22-/m0/s1/i23-1
InChIKey   InChIKey=YUULVHYMPZYSNY-OPPRROJCSA-N

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104/127(ro)(G)-...
Original ID
104/127(ro)(G)--
455-1

Chemical Structure Image
DB MOLI (PubChem)
NIH Roadmap Molecular Imaging and Contrast Agent Database, Anne Menkens, NCI, NIH (PubChem)
Release 2007-07-26
ID MOLI000252 (241)
uuuuu   5737ED388DE35E46-uuuuu-01
FICuS   18AD0B3AFC43BE7A-FICuS-01
FICTS   18AD0B3AFC43BE7A-FICTS-01
Formula   C22H32ClN2O3S3Tc
InChI   InChI=1S/C17H22ClNO2S.C5H13NS2.O.Tc/c1-2...
InChI=1S/C17H22ClNO2S.C5H13NS2.O.Tc/c1-21-17(20)16-14(11-2-4-12(18)5-3-11)10-13-6-7-15(16)19(13)8-9-22;1-6(2-4-7)3-5-8;;/h2-5,13-16,22H,6-10H2,1H3;7-8H,2-5H2,1H3;;/q;;;+3/p-3/t13?,14-,15?,16+;;;/m1.../s1/i;;;1+1
InChIKey   InChIKey=HUFRKWQOWRMSEC-GPZQFVOGSA-K

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241/347(ro)(G)-...
Original ID
241/347(ro)(G)--
457-1

Chemical Structure Image
DB MOLI (PubChem)
NIH Roadmap Molecular Imaging and Contrast Agent Database, Anne Menkens, NCI, NIH (PubChem)
Release 2007-07-26
ID MOLI000023 (20)
uuuuu   A29CC3D545A5E3F1-uuuuu-01
FICuS   4FC5C7A70B83F374-FICuS-01
FICTS   4FC5C7A70B83F374-FICTS-01
Formula   C20H31FO2
InChI   InChI=1S/C20H31FO2/c1-18-7-4-13(22)10-12...
InChI=1S/C20H31FO2/c1-18-7-4-13(22)10-12(18)11-16(21)17-14(18)5-8-19(2)15(17)6-9-20(19,3)23/h12,14-17,23H,4-11H2,1-3H3/t12-,14+,15+,16-,17-,18+,19+,20+/m1/s1/i21-1
InChIKey   InChIKey=KDOWKYAPESCVNY-AZFYQASNSA-N

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20/24(L)--
Original ID
20/24(L)--
459-1

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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4/6(L)--
Original ID
4/6(L)--
461-1

Chemical Structure Image
DB MOLI (PubChem)
NIH Roadmap Molecular Imaging and Contrast Agent Database, Anne Menkens, NCI, NIH (PubChem)
Release 2007-07-26
ID MOLI000028 (25)
uuuuu   87A8F83C71047064-uuuuu-01
FICuS   ACB120D3C5782FDE-FICuS-01
FICTS   ACB120D3C5782FDE-FICTS-01
Formula   C13H14Cl2FNO
InChI   InChI=1S/C13H14Cl2FNO/c1-3-6-17(2)8-11(1...
InChI=1S/C13H14Cl2FNO/c1-3-6-17(2)8-11(16)9-18-13-5-4-10(14)7-12(13)15/h1,4-5,7,11H,6,8-9H2,2H3/i16-1
InChIKey   InChIKey=VLZULQDUHYEBFL-GKTGUEEDSA-N

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25/32(L)--
Original ID
25/32(L)--
 
   
 
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