CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00381953" 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 CFAMM00381953
Family CFFBM7649 Histamine H1 receptor ligand Ahr 5333 family
Superfamily CFSID420 Sodium- and chloride-dependent GABA transporter 3 Inhibitor SNAP-5114 Superfamily
Class CFCAD719 Class 719
External ID CHEMBL17237 External Source CHEMBL
PubChem CID 44271504 Functional Category Bioactive
Molecule Name SureCN10462896
IUPAC Name methyl 4-[3-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propoxy]benzoate
Synonyms AGN-PC-0747YO;CHEBI:119440;methyl 4-[3-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propoxy]benzoate
InChi InChI=1S/C29H31F2NO4/c1-35-28(33)21-3-13-27(14-4-21)36-20-2-17-32-18-15-24(16-19-32)29(34,22-5-9-25(30)10-6-22)23-7-11-26(31)12-8-23/h3-14,24,34H,2,15-20H2,1H3
InChiKey DNJLISQLMWIPEU-UHFFFAOYSA-N
Formula C29H31F2NO4 Molecular Weight 495.56
Cross Link CHEMBL17237
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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