CFam Chemical Families Database
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You are searching for "CFAMM00137611" in compound.

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CFAM Mol ID CFAMM00137611
Family CFFCD133 Integrin beta-1 Inhibitor R411 Family
Superfamily CFSCD121 Integrin beta-1 Inhibitor R411 Superfamily
Class CFCCD104 Class 917
External ID CHEMBL84325 External Source CHEMBL
PubChem CID 10196582 Functional Category Bioactive
Molecule Name (2S)-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-2-[[1-(2-morpholin-4-ylethyl)cyclopentanecarbonyl]amino]propanoic acid
IUPAC Name (2S)-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-2-[[1-(2-morpholin-4-ylethyl)cyclopentanecarbonyl]amino]propanoic acid
Synonyms CHEBI:232298
InChi InChI=1S/C28H33Cl2N3O5/c29-21-4-3-5-22(30)24(21)25(34)31-20-8-6-19(7-9-20)18-23(26(35)36)32-27(37)28(10-1-2-11-28)12-13-33-14-16-38-17-15-33/h3-9,23H,1-2,10-18H2,(H,31,34)(H,32,37)(H,35,36)/t23-/m0/s1
InChiKey QJAXYGNRBHJPOE-QHCPKHFHSA-N
Formula C28H33Cl2N3O5 Molecular Weight 562.48
Cross Link CHEMBL84325
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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