CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00045696" 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 CFAMM00045696
Family CFFAD270 Histamine H1 receptor ligand tricyclic antidepressant Desloratadine Family
Superfamily CFSAD88 Histamine H1 receptor ligand tricyclic antidepressant Superfamily
Class CFCAD88 Class 88
External ID CHEMBL482528 External Source CHEMBL
PubChem CID 44586290 Functional Category Bioactive
Molecule Name AGN-PC-077PQN
IUPAC Name 1-[(4-chlorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]piperazine
Synonyms CHEBI:609214;1-[(4-chlorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]piperazine
InChi InChI=1S/C23H24ClN3/c24-23-7-3-20(4-8-23)18-27-15-13-26(14-16-27)17-19-1-5-21(6-2-19)22-9-11-25-12-10-22/h1-12H,13-18H2
InChiKey IDJVQGABBCXBQJ-UHFFFAOYSA-N
Formula C23H24ClN3 Molecular Weight 377.91
Cross Link CHEMBL482528
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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