CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00429864" 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 CFAMM00429864
Family CFFBM14711 Substance-P receptor ligand AGN-PC-004REJ family
Superfamily CFSID1509 Poly [ADP-ribose] polymerase 1 Binder Superfamily 4
Class CFCCD265 Class 1078
External ID CHEMBL281491 External Source CHEMBL
PubChem CID 11225834 Functional Category Bioactive
Molecule Name AGN-PC-004REJ
IUPAC Name N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2-dimethyl-4-phenylquinoline-3-carboxamide
Synonyms CHEBI:133850;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2-dimethyl-4-phenylquinoline-3-carboxamide
InChi InChI=1S/C27H20F6N2O/c1-16-23(24(18-8-4-3-5-9-18)21-10-6-7-11-22(21)34-16)25(36)35(2)15-17-12-19(26(28,29)30)14-20(13-17)27(31,32)33/h3-14H,15H2,1-2H3
InChiKey CEKXKDBQOLAVMC-UHFFFAOYSA-N
Formula C27H20F6N2O Molecular Weight 502.45
Cross Link CHEMBL281491
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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