CFam Chemical Families Database
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You are searching for "CFAMM00407184" 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 CFAMM00407184
Family CFFBM11156 Histamine H3 receptor ligand SureCN5093846 family
Superfamily CFSBM5389 Histamine H3 receptor and Nitric oxide synthase, brain Binder Superfamily
Class CFCAD286 Class 286
External ID CHEMBL210401 External Source CHEMBL
PubChem CID 44412635 Functional Category Bioactive
Molecule Name SureCN5093846
IUPAC Name [7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-thiophen-2-ylmethanone
Synonyms AGN-PC-0762SM;CHEBI:450385;[7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-thiophen-2-ylmethanone
InChi InChI=1S/C22H28N2O2S/c25-22(21-6-4-15-27-21)24-13-9-18-7-8-20(16-19(18)17-24)26-14-5-12-23-10-2-1-3-11-23/h4,6-8,15-16H,1-3,5,9-14,17H2
InChiKey KTFHOCCRXYONKA-UHFFFAOYSA-N
Formula C22H28N2O2S Molecular Weight 384.53
Cross Link CHEMBL210401
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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