CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00381959" 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 CFAMM00381959
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 19983051 External Source PubChem
PubChem CID 19983051 Functional Category Patent Compound
Molecule Name AGN-PC-02Q5IX
IUPAC Name 2-[4-[3-[4-[2,2-bis(4-fluorophenyl)-2-hydroxyethyl]piperidin-2-yl]propoxy]-3-methoxyphenyl]-2-oxoacetic acid
Synonyms SureCN7438244;2-[4-[3-[4-[2,2-bis(4-fluorophenyl)-2-hydroxyethyl]piperidin-2-yl]propoxy]-3-methoxyphenyl]-2-oxoacetic acid
InChi InChI=1S/C31H33F2NO6/c1-39-28-18-21(29(35)30(36)37)4-13-27(28)40-16-2-3-26-17-20(14-15-34-26)19-31(38,22-5-9-24(32)10-6-22)23-7-11-25(33)12-8-23/h4-13,18,20,26,34,38H,2-3,14-17,19H2,1H3,(H,36,37)
InChiKey QKBWHEMJTAAZBG-UHFFFAOYSA-N
Formula C31H33F2NO6 Molecular Weight 553.59
Cross Link
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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