CFam Chemical Families Database
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You are searching for "CFAMM00260983" in compound.

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CFAM Mol ID CFAMM00260983
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 CHEMBL1836345 External Source CHEMBL
PubChem CID 56666912 Functional Category Bioactive
Molecule Name 3-[3-oxo-5-[(4-piperidin-4-ylbenzoyl)amino]-1H-isoindol-2-yl]propanoic acid;2,2,2-trifluoroacetic acid
IUPAC Name 3-[3-oxo-5-[(4-piperidin-4-ylbenzoyl)amino]-1H-isoindol-2-yl]propanoic acid;2,2,2-trifluoroacetic acid
Synonyms AGN-PC-0BFO2S;3-[3-oxo-5-[(4-piperidin-4-ylbenzoyl)amino]-1H-isoindol-2-yl]propanoic acid;2,2,2-trifluoroacetic acid
InChi InChI=1S/C23H25N3O4.C2HF3O2/c27-21(28)9-12-26-14-18-5-6-19(13-20(18)23(26)30)25-22(29)17-3-1-15(2-4-17)16-7-10-24-11-8-16;3-2(4,5)1(6)7/h1-6,13,16,24H,7-12,14H2,(H,25,29)(H,27,28);(H,6,7)
InChiKey JNAHDNDQSUGXPO-UHFFFAOYSA-N
Formula C25H26F3N3O6 Molecular Weight 521.49
Cross Link CHEMBL1836345
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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