CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00045666" in compound.

Total 1 results found.

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 CFAMM00045666
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 CHEMBL48915 External Source CHEMBL
PubChem CID 22605935 Functional Category Bioactive
Molecule Name SureCN6440118
IUPAC Name 5-chloro-2-pyridin-4-yl-3,4-dihydro-1H-isoquinoline
Synonyms AGN-PC-03R5E3;CHEBI:175468;Isoquinoline, 5-chloro-1,2,3,4-tetrahydro-2-(4-pyridinyl)-
InChi InChI=1S/C14H13ClN2/c15-14-3-1-2-11-10-17(9-6-13(11)14)12-4-7-16-8-5-12/h1-5,7-8H,6,9-10H2
InChiKey MSAAQJGBKBAPHK-UHFFFAOYSA-N
Formula C14H13ClN2 Molecular Weight 244.72
Cross Link CHEMBL48915
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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