CFam Chemical Families Database
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You are searching for "CFAMM00127133" in compound.

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CFAM Mol ID CFAMM00127133
Family CFFCD10 Integrin alpha-4 Inhibitor R1295 Family
Superfamily CFSCD10 Integrin alpha-4 Inhibitor R1295 Superfamily
Class CFCCD7 Class 820
External ID CHEMBL433284 External Source CHEMBL
PubChem CID 9830292 Functional Category Bioactive
Molecule Name methyl (4S)-3-[[(1R,3R)-3-(4-cyano-4-phenylpiperidin-1-yl)cyclopentyl]carbamoyl]-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate
IUPAC Name methyl (4S)-3-[[(1R,3R)-3-(4-cyano-4-phenylpiperidin-1-yl)cyclopentyl]carbamoyl]-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate
Synonyms CHEBI:188635
InChi InChI=1S/C32H35F2N5O5/c1-43-18-26-27(29(40)44-2)28(20-8-11-24(33)25(34)16-20)39(31(42)37-26)30(41)36-22-9-10-23(17-22)38-14-12-32(19-35,13-15-38)21-6-4-3-5-7-21/h3-8,11,16,22-23,28H,9-10,12-15,17-18H2,1-2H3,(H,36,41)(H,37,42)/t22-,23-,28+/m1/s1
InChiKey UMVYPFAJDLQOIO-MRJKTFCFSA-N
Formula C32H35F2N5O5 Molecular Weight 607.65
Cross Link CHEMBL433284
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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