CFAM Mol ID	CFAMM00387331
Family	CFFBM8351 C-C chemokine receptor type 5 ligand N-[(1S)-3-[4-[[2-(2,4-dichlorophenyl)acetyl]-ethylamino]piperidin-1-yl]-1-phenylbutyl]cyclobutanecarboxamide family
Superfamily	CFSCD111 Neuromedin-K receptor Ligand Osanetant Superfamily
Class	CFCCD95 Class 908
External ID	CHEMBL363239	External Source	CHEMBL
PubChem CID	44397196	Functional Category	Bioactive
Molecule Name	N-[[1-[4-[(2R)-2-(3-aminopropanoylamino)-3-(2,4-dichlorophenyl)propanoyl]piperazin-1-yl]cyclohexyl]methyl]-1,2-dihydropyridine-5-carboxamide
IUPAC Name	N-[[1-[4-[(2R)-2-(3-aminopropanoylamino)-3-(2,4-dichlorophenyl)propanoyl]piperazin-1-yl]cyclohexyl]methyl]-1,2-dihydropyridine-5-carboxamide
Synonyms	CHEBI:414830
InChi	InChI=1S/C29H40Cl2N6O3/c30-23-7-6-21(24(31)18-23)17-25(35-26(38)8-11-32)28(40)36-13-15-37(16-14-36)29(9-2-1-3-10-29)20-34-27(39)22-5-4-12-33-19-22/h4-7,18-19,25,33H,1-3,8-17,20,32H2,(H,34,39)(H,35,38)/t25-/m1/s1
InChiKey	ZDBJYKUEQIMUKL-RUZDIDTESA-N
Formula	C29H40Cl2N6O3	Molecular Weight	591.57
Cross Link	CHEMBL363239
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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