CFam Chemical Families Database
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You are searching for "CFAMM00449077" in compound.

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CFAM Mol ID CFAMM00449077
Family CFFBM18773 Integrin beta-3 and Integrin alpha-IIb inhibitor (3S)-3-[[2-[(3R)-3-[2-(2-aminopyridin-4-yl)ethyl]-2-oxopiperidin-1-yl]acetyl]amino]pent-4-ynoic acid family
Superfamily CFSBM2899 Integrin beta-3 and Integrin alpha-V Binder Superfamily 12
Class CFCAD639 Class 639
External ID CHEMBL59020 External Source CHEMBL
PubChem CID 44301021 Functional Category Bioactive
Molecule Name (3S)-3-[[2-[2-(2-aminopyridin-4-yl)ethyl]-3-oxo-1H-isoindole-5-carbonyl]amino]pent-4-ynoic acid
IUPAC Name (3S)-3-[[2-[2-(2-aminopyridin-4-yl)ethyl]-3-oxo-1H-isoindole-5-carbonyl]amino]pent-4-ynoic acid
Synonyms CHEBI:190532
InChi InChI=1S/C21H20N4O4/c1-2-16(11-19(26)27)24-20(28)14-3-4-15-12-25(21(29)17(15)10-14)8-6-13-5-7-23-18(22)9-13/h1,3-5,7,9-10,16H,6,8,11-12H2,(H2,22,23)(H,24,28)(H,26,27)/t16-/m1/s1
InChiKey WZRAHNQCCNXRTD-MRXNPFEDSA-N
Formula C21H20N4O4 Molecular Weight 392.41
Cross Link CHEMBL59020
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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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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