CFam Chemical Families Database
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You are searching for "CFAMM00077093" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00077093
Family CFFAD575 Nuclear receptor subfamily 1 group I member 3 ligand piperazine derivative Meclizine Family
Superfamily CFSAD116 calcium channel, Histamine H1 receptor, nuclear receptor binding piperazine derivative Flunarizine Cyclizine Meclizine Superfamily
Class CFCAD115 Class 115
External ID CHEMBL193938 External Source CHEMBL
PubChem CID 44401225 Functional Category Bioactive
Molecule Name AGN-PC-075VK0
IUPAC Name 2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]ethanamine
Synonyms CHEBI:424199;2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]ethanamine
InChi InChI=1S/C30H43Cl2N3/c1-30(2,3)25-11-9-24(10-12-25)29(22-33-14-13-23-19-26(31)21-27(32)20-23)35-17-15-34(16-18-35)28-7-5-4-6-8-28/h9-12,19-21,28-29,33H,4-8,13-18,22H2,1-3H3
InChiKey UOJQOOAVWIGUTE-UHFFFAOYSA-N
Formula C30H43Cl2N3 Molecular Weight 516.59
Cross Link CHEMBL193938
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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