CFam Chemical Families Database
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You are searching for "CFAMM00387328" in compound.

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CFAM Mol ID CFAMM00387328
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 CHEMBL186227 External Source CHEMBL
PubChem CID 44397122 Functional Category Bioactive
Molecule Name 3-amino-N-[(2R)-1-[4-[1-[[(4-cyanophenyl)methylamino]methyl]cyclohexyl]piperazin-1-yl]-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]propanamide
IUPAC Name 3-amino-N-[(2R)-1-[4-[1-[[(4-cyanophenyl)methylamino]methyl]cyclohexyl]piperazin-1-yl]-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]propanamide
Synonyms CHEBI:414714
InChi InChI=1S/C31H40Cl2N6O2/c32-26-9-8-25(27(33)19-26)18-28(37-29(40)10-13-34)30(41)38-14-16-39(17-15-38)31(11-2-1-3-12-31)22-36-21-24-6-4-23(20-35)5-7-24/h4-9,19,28,36H,1-3,10-18,21-22,34H2,(H,37,40)/t28-/m1/s1
InChiKey HTLWIETVTQBSTB-MUUNZHRXSA-N
Formula C31H40Cl2N6O2 Molecular Weight 599.59
Cross Link CHEMBL186227
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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