CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00447903" in compound.

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CFAM Mol ID CFAMM00447903
Family CFFBM18525 P2Y purinoceptor 12 inhibitor (4S)-4-[(4,6-diphenylpyridine-2-carbonyl)amino]-5-[4-(3-methylphenyl)piperazin-1-yl]-5-oxopentanoic acid family
Superfamily CFSBM7288 P2Y purinoceptor 12 Binder Superfamily 3
Class CFCAD639 Class 639
External ID CHEMBL557553 External Source CHEMBL
PubChem CID 45270274 Functional Category Bioactive
Molecule Name (4S)-4-[(4,6-diphenylpyridine-2-carbonyl)amino]-5-[4-(3-methylphenyl)piperazin-1-yl]-5-oxopentanoic acid
IUPAC Name (4S)-4-[(4,6-diphenylpyridine-2-carbonyl)amino]-5-[4-(3-methylphenyl)piperazin-1-yl]-5-oxopentanoic acid
Synonyms CHEBI:661054
InChi InChI=1S/C34H34N4O4/c1-24-9-8-14-28(21-24)37-17-19-38(20-18-37)34(42)29(15-16-32(39)40)36-33(41)31-23-27(25-10-4-2-5-11-25)22-30(35-31)26-12-6-3-7-13-26/h2-14,21-23,29H,15-20H2,1H3,(H,36,41)(H,39,40)/t29-/m0/s1
Formula C34H34N4O4 Molecular Weight 562.66
Cross Link CHEMBL557553

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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