CFam Chemical Families Database
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You are searching for "CFAMM00424726" 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 CFAMM00424726
Family CFFBM13852 Histamine H3 receptor and Sodium-dependent serotonin transporter ligand AGN-PC-00DS0V family
Superfamily CFSBM4588 Histamine H3 receptor and Sodium-dependent serotonin transporter Binder Superfamily 3
Class CFCAD280 Class 280
External ID CHEMBL246331 External Source CHEMBL
PubChem CID 11539608 Functional Category Bioactive
Molecule Name SureCN1034272
IUPAC Name 4-(3-chloro-4-methoxyphenyl)-7-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methyl-3,4-dihydro-1H-isoquinoline
Synonyms AGN-PC-00B69R;CHEBI:510287;4-(3-chloro-4-methoxyphenyl)-7-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methyl-3,4-dihydro-1H-isoquinoline
InChi InChI=1S/C25H32ClFN2O2/c1-28-16-19-14-21(31-13-3-10-29-11-8-20(27)9-12-29)5-6-22(19)23(17-28)18-4-7-25(30-2)24(26)15-18/h4-7,14-15,20,23H,3,8-13,16-17H2,1-2H3
InChiKey WWSHLNJFRHBFML-UHFFFAOYSA-N
Formula C25H32ClFN2O2 Molecular Weight 446.99
Cross Link CHEMBL246331
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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