CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00565558" 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 CFAMM00565558
Family CFFNP2287 Putative NP ZINC03999141 Family
Superfamily CFSBM370 Transient receptor potential cation channel subfamily A member 1 ligand AGN-PC-07ZG5M Superfamily
Class CFCCD140 Class 953
External ID 57082364 External Source PubChem
PubChem CID 57082364 Functional Category Patent Compound
Molecule Name AGN-PC-0BI11R
IUPAC Name ethyl 4-[2-(4,4-dimethyl-2-oxo-1-propan-2-yl-3H-quinolin-6-yl)ethylamino]benzoate
Synonyms SureCN7710141;ethyl 4-[2-(4,4-dimethyl-2-oxo-1-propan-2-yl-3H-quinolin-6-yl)ethylamino]benzoate
InChi InChI=1S/C25H32N2O3/c1-6-30-24(29)19-8-10-20(11-9-19)26-14-13-18-7-12-22-21(15-18)25(4,5)16-23(28)27(22)17(2)3/h7-12,15,17,26H,6,13-14,16H2,1-5H3
InChiKey WWXVYZGKRVXKCA-UHFFFAOYSA-N
Formula C25H32N2O3 Molecular Weight 408.53
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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