CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00137814" 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.

Search Results

CFAM Mol ID CFAMM00137814
Family CFFCD138 Neuromedin-K receptor Ligand SB222200 Family
Superfamily CFSCD126 Neuromedin-K receptor Ligand SB222200 Superfamily
Class CFCAD137 Class 137
External ID CHEMBL492856 External Source CHEMBL
PubChem CID 24959937 Functional Category Bioactive
Molecule Name AGN-PC-04UP0T
IUPAC Name 1-oxo-2-(quinolin-4-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline-5-carboxamide
Synonyms SureCN14122736;CHEBI:568780;1-oxo-2-(quinolin-4-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline-5-carboxamide
InChi InChI=1S/C27H20F3N3O2/c28-27(29,30)18-5-3-6-19(15-18)32-25(34)22-8-4-9-23-21(22)12-14-33(26(23)35)16-17-11-13-31-24-10-2-1-7-20(17)24/h1-11,13,15H,12,14,16H2,(H,32,34)
InChiKey FKBDRNXYZLXBMD-UHFFFAOYSA-N
Formula C27H20F3N3O2 Molecular Weight 475.46
Cross Link CHEMBL492856
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
 

 

26834 visits since 2014 .........

 



Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00137814'),None, txtsearch, CFAMM00137814|