CFam Chemical Families Database
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You are searching for "CFAMM00387674" in compound.

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CFAM Mol ID CFAMM00387674
Family CFFBM8408 Integrin beta-1 and Integrin alpha-4 inhibitor 3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-2-[3-[2,2-dimethylpropanoyl(2-methylpropyl)amino]-4-propoxyphenyl]propanoic acid family
Superfamily CFSBM4489 Integrin beta-1 and Integrin alpha-4 Binder Superfamily 10
Class CFCCD407 Class 1220
External ID CHEMBL66087 External Source CHEMBL
PubChem CID 44304770 Functional Category Bioactive
Molecule Name AGN-PC-074D2B
IUPAC Name 3-[[4-[1-[4-(2,4-dichlorophenyl)anilino]-1-oxooctan-2-yl]oxybenzoyl]amino]propanoic acid
Synonyms CHEBI:198699;3-[[4-[1-[4-(2,4-dichlorophenyl)anilino]-1-oxooctan-2-yl]oxybenzoyl]amino]propanoic acid
InChi InChI=1S/C30H32Cl2N2O5/c1-2-3-4-5-6-27(39-24-14-9-21(10-15-24)29(37)33-18-17-28(35)36)30(38)34-23-12-7-20(8-13-23)25-16-11-22(31)19-26(25)32/h7-16,19,27H,2-6,17-18H2,1H3,(H,33,37)(H,34,38)(H,35,36)
InChiKey YFBXBYGXHKOXOG-UHFFFAOYSA-N
Formula C30H32Cl2N2O5 Molecular Weight 571.49
Cross Link CHEMBL66087
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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