CFam Chemical Families Database
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You are searching for "CFAMM00381287" in compound.

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CFAM Mol ID CFAMM00381287
Family CFFBM7566 Integrin beta-1 and Integrin alpha-4 inhibitor (2S)-2-[[1-(benzenesulfonyl)cyclohexanecarbonyl]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid family
Superfamily CFSBM4135 Integrin beta-1 and Integrin alpha-4 Binder Superfamily 8
Class CFCAD590 Class 590
External ID CHEMBL305709 External Source CHEMBL
PubChem CID 44314705 Functional Category Bioactive
Molecule Name (2S)-2-[[C-[(2S)-1-(benzenesulfonyl)azetidin-2-yl]-N-methylcarbonimidoyl]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid
IUPAC Name (2S)-2-[[C-[(2S)-1-(benzenesulfonyl)azetidin-2-yl]-N-methylcarbonimidoyl]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid
Synonyms CHEBI:221077
InChi InChI=1S/C28H31N3O6S/c1-29-27(23-16-17-31(23)38(34,35)21-8-5-4-6-9-21)30-22(28(32)33)18-19-12-14-20(15-13-19)26-24(36-2)10-7-11-25(26)37-3/h4-15,22-23H,16-18H2,1-3H3,(H,29,30)(H,32,33)/t22-,23-/m0/s1
InChiKey VHCXDXCCKVQHGO-GOTSBHOMSA-N
Formula C28H31N3O6S Molecular Weight 537.63
Cross Link CHEMBL305709
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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