CFam Chemical Families Database
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You are searching for "CFAMM00419674" in compound.

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CFAM Mol ID CFAMM00419674
Family CFFBM13017 Integrin beta-3 and Integrin alpha-IIb inhibitor (2S)-5-(diaminomethylideneamino)-2-[[(6S,14S,19R,22S,25S,28S,34S,37S)-6,11,14-triamino-28-(carboxymethyl)-22,34-bis[3-(diaminomethylideneamino)propyl]-25-[(4-methoxyphenyl)methyl]-2,5,13,21,24,27,30,33,36-nonaoxospiro[16,17-dithia-1,4,10,12,20,23,26,29,32,35-decazabicyclo[35.3.0]tetracont-10-ene-15,1'-cyclohexane]-19-carbonyl]amino]pentanoic acid family
Superfamily CFSBM5929 Integrin beta-3 and Integrin alpha-IIb Binder Superfamily 13
Class CFCAD590 Class 590
External ID CHEMBL2371536 External Source CHEMBL
PubChem CID 73348593 Functional Category Bioactive
Molecule Name (2S)-5-(diaminomethylideneamino)-2-[[(6S,14S,19R,22S,25S,28S,34S,37S)-6,11,14-triamino-28-(carboxymethyl)-22,34-bis[3-(diaminomethylideneamino)propyl]-25-[(4-methoxyphenyl)methyl]-2,5,13,21,24,27,30,33,36-nonaoxospiro[16,17-dithia-1,4,10,12,20,23,26,29,32,35-decazabicyclo[35.3.0]tetracont-10-ene-15,1'-cyclohexane]-19-carbonyl]amino]pentanoic acid
IUPAC Name (2S)-5-(diaminomethylideneamino)-2-[[(6S,14S,19R,22S,25S,28S,34S,37S)-6,11,14-triamino-28-(carboxymethyl)-22,34-bis[3-(diaminomethylideneamino)propyl]-25-[(4-methoxyphenyl)methyl]-2,5,13,21,24,27,30,33,36-nonaoxospiro[16,17-dithia-1,4,10,12,20,23,26,29,32,35-decazabicyclo[35.3.0]tetracont-10-ene-15,1'-cyclohexane]-19-carbonyl]amino]pentanoic acid
Synonyms
InChi InChI=1S/C58H95N23O15S2/c1-96-32-17-15-31(16-18-32)26-37-48(89)75-35(12-7-22-69-55(63)64)47(88)79-39(50(91)77-36(53(94)95)13-8-23-70-56(65)66)30-97-98-58(19-3-2-4-20-58)44(60)52(93)80-57(67)71-24-5-10-33(59)45(86)73-29-42(83)81-25-9-14-40(81)51(92)76-34(11-6-21-68-54(61)62)46(87)72-28-41(82)74-38(27-43(84)85)49(90)78-37/h15-18,33-40,44H,2-14,19-30,59-60H2,1H3,(H,72,87)(H,73,86)(H,74,82)(H,75,89)(H,76,92)(H,77,91)(H,78,90)(H,79,88)(H,84,85)(H,94,95)(H4,61,62,68)(H4,63,64,69)(H4,65,66,70)(H3,67,71,80,93)/t33-,34-,35-,36-,37-,38-,39-,40-,44-/m0/s1
InChiKey FMXQBVYTEHKMDV-FVIOSKSNSA-N
Formula C58H95N23O15S2 Molecular Weight 1418.65
Cross Link CHEMBL2371536
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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National University of Singapore, Singapore


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