CFam Chemical Families Database
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You are searching for "CFAMM00422092" in compound.

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CFAM Mol ID CFAMM00422092
Family CFFBM13382 Integrin beta-1 and Integrin alpha-4 inhibitor (2S)-2-[[2-(diethylamino)-5-[dimethylcarbamoyl(ethyl)amino]pyrimidin-4-yl]amino]-3-[4-(pyrrolidine-1-carbonyloxy)phenyl]propanoic acid family
Superfamily CFSID1669 Mitogen-activated protein kinase 8 Inhibitor 2-(2-phenoxypyrimidin-4-ylamino)benzoic Acid Superfamily
Class CFCCD37 Class 850
External ID CHEMBL68592 External Source CHEMBL
PubChem CID 44310021 Functional Category Bioactive
Molecule Name (2S)-3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[[(2S)-1-pyrimidin-5-ylpyrrolidine-2-carbonyl]amino]propanoic acid
IUPAC Name (2S)-3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[[(2S)-1-pyrimidin-5-ylpyrrolidine-2-carbonyl]amino]propanoic acid
Synonyms CHEBI:210837
InChi InChI=1S/C26H28N4O5/c1-34-22-6-3-7-23(35-2)24(22)18-10-8-17(9-11-18)13-20(26(32)33)29-25(31)21-5-4-12-30(21)19-14-27-16-28-15-19/h3,6-11,14-16,20-21H,4-5,12-13H2,1-2H3,(H,29,31)(H,32,33)/t20-,21-/m0/s1
InChiKey VVKWSNOGZODKEQ-SFTDATJTSA-N
Formula C26H28N4O5 Molecular Weight 476.52
Cross Link CHEMBL68592
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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