CFam Chemical Families Database
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You are searching for "CFAMM00260984" in compound.

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CFAM Mol ID CFAMM00260984
Family CFFID2146 Integrin alpha-2 and Integrin beta-3 Inhibitor 3-(3-(carbamoyl)benzamido)propanoic Acid Family
Superfamily CFSID1005 Integrin beta-3 and Integrin alpha-2 Binder Superfamily
Class CFCAD252 Class 252
External ID CHEMBL1836347 External Source CHEMBL
PubChem CID 56666916 Functional Category Bioactive
Molecule Name 3-[3-oxo-5-(1,2,3,4-tetrahydroisoquinoline-7-carbonylamino)-1H-isoindol-2-yl]propanoic acid;hydrochloride
IUPAC Name 3-[3-oxo-5-(1,2,3,4-tetrahydroisoquinoline-7-carbonylamino)-1H-isoindol-2-yl]propanoic acid;hydrochloride
Synonyms AGN-PC-0BFO2W;3-[3-oxo-5-(1,2,3,4-tetrahydroisoquinoline-7-carbonylamino)-1H-isoindol-2-yl]propanoic acid;hydrochloride
InChi InChI=1S/C21H21N3O4.ClH/c25-19(26)6-8-24-12-15-3-4-17(10-18(15)21(24)28)23-20(27)14-2-1-13-5-7-22-11-16(13)9-14;/h1-4,9-10,22H,5-8,11-12H2,(H,23,27)(H,25,26);1H
InChiKey HUGQZSJOLXZACT-UHFFFAOYSA-N
Formula C21H22ClN3O4 Molecular Weight 415.87
Cross Link CHEMBL1836347
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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