CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00077076" 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 CFAMM00077076
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 CHEMBL512782 External Source CHEMBL
PubChem CID 44574999 Functional Category Bioactive
Molecule Name (1R,5R)-8-[bis(2-chlorophenyl)methyl]-3-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
IUPAC Name (1R,5R)-8-[bis(2-chlorophenyl)methyl]-3-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
Synonyms CHEBI:580887
InChi InChI=1S/C27H27Cl3N2/c28-19-11-9-18(10-12-19)15-27(31)16-20-13-14-21(17-27)32(20)26(22-5-1-3-7-24(22)29)23-6-2-4-8-25(23)30/h1-12,20-21,26H,13-17,31H2/t20-,21-/m1/s1
InChiKey GMLXFHAZVSYSMP-NHCUHLMSSA-N
Formula C27H27Cl3N2 Molecular Weight 485.88
Cross Link CHEMBL512782
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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