CFam Chemical Families Database
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You are searching for "CFAMM00451674" in compound.

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CFAM Mol ID CFAMM00451674
Family CFFBM19391 Integrin beta-1 and Integrin alpha-4 inhibitor (2S)-2-[(2-chloro-4-methoxybenzoyl)amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoic acid family
Superfamily CFSBM6657 Integrin beta-1 and Integrin alpha-4 Binder Superfamily 20
Class CFCID715 Class 2065
External ID CHEMBL81342 External Source CHEMBL
PubChem CID 44461502 Functional Category Bioactive
Molecule Name (2S)-2-[(2-chloro-4-methoxybenzoyl)amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoic acid
IUPAC Name (2S)-2-[(2-chloro-4-methoxybenzoyl)amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoic acid
Synonyms CHEBI:231638
InChi InChI=1S/C24H19Cl3N2O5/c1-34-15-9-10-16(19(27)12-15)22(30)29-20(24(32)33)11-13-5-7-14(8-6-13)28-23(31)21-17(25)3-2-4-18(21)26/h2-10,12,20H,11H2,1H3,(H,28,31)(H,29,30)(H,32,33)/t20-/m0/s1
InChiKey UHWCYRMUFITVTQ-FQEVSTJZSA-N
Formula C24H19Cl3N2O5 Molecular Weight 521.78
Cross Link CHEMBL81342
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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