CFam Chemical Families Database
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You are searching for "CFAMM00387683" in compound.

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CFAM Mol ID CFAMM00387683
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 CHEMBL249741 External Source CHEMBL
PubChem CID 11157078 Functional Category Bioactive
Molecule Name SureCN4101202
IUPAC Name (4R)-1-[4-[(2-chloro-5-fluorobenzoyl)amino]-3-methoxybenzoyl]spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1'-carboxylic acid
Synonyms SureCN7933162;CHEBI:518049
InChi InChI=1S/C30H26ClFN2O5/c1-39-26-14-18(6-9-24(26)33-27(35)22-15-21(32)7-8-23(22)31)28(36)34-13-12-30(11-10-20(17-30)29(37)38)16-19-4-2-3-5-25(19)34/h2-9,14-15,17H,10-13,16H2,1H3,(H,33,35)(H,37,38)/t30-/m0/s1
InChiKey ZHFPIMSXEZPRLC-PMERELPUSA-N
Formula C30H26ClFN2O5 Molecular Weight 548.99
Cross Link CHEMBL249741
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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