CFam Chemical Families Database
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You are searching for "CFAMM00127141" in compound.

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CFAM Mol ID CFAMM00127141
Family CFFCD10 Integrin alpha-4 Inhibitor R1295 Family
Superfamily CFSCD10 Integrin alpha-4 Inhibitor R1295 Superfamily
Class CFCCD7 Class 820
External ID CHEMBL300766 External Source CHEMBL
PubChem CID 44299975 Functional Category Bioactive
Molecule Name methyl (4S)-3-[[(1R,3S)-3-[4-(2-cyanophenyl)piperazin-1-yl]cyclopentyl]carbamoyl]-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate
IUPAC Name methyl (4S)-3-[[(1R,3S)-3-[4-(2-cyanophenyl)piperazin-1-yl]cyclopentyl]carbamoyl]-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate
Synonyms CHEBI:188330
InChi InChI=1S/C31H34F2N6O5/c1-43-18-25-27(29(40)44-2)28(19-7-10-23(32)24(33)15-19)39(31(42)36-25)30(41)35-21-8-9-22(16-21)37-11-13-38(14-12-37)26-6-4-3-5-20(26)17-34/h3-7,10,15,21-22,28H,8-9,11-14,16,18H2,1-2H3,(H,35,41)(H,36,42)/t21-,22+,28+/m1/s1
Formula C31H34F2N6O5 Molecular Weight 608.64
Cross Link CHEMBL300766

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).

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National University of Singapore, Singapore

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