CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00282140" 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 CFAMM00282140
Family CFFID3013 Bifunctional epoxide hydrolase 2 Inhibitor N-benzyl-6-(3,3,3-trifluoropropoxy)nicotinamide Family
Superfamily CFSID2115 Bifunctional epoxide hydrolase 2 Inhibitor N-benzyl-6-(3,3,3-trifluoropropoxy)nicotinamide Superfamily
Class CFCCD350 Class 1163
External ID CHEMBL1824639 External Source CHEMBL
PubChem CID 56675581 Functional Category Bioactive
Molecule Name [2-(3,5-difluoro-2-methylphenoxy)-1-phenylpyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-ylmethanone
IUPAC Name [2-(3,5-difluoro-2-methylphenoxy)-1-phenylpyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-ylmethanone
Synonyms AGN-PC-0BFS33;[2-(3,5-difluoro-2-methylphenoxy)-1-phenylpyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-ylmethanone
InChi InChI=1S/C25H22F2N4O2/c1-16-20(27)13-17(26)14-22(16)33-25-23(24(32)30-11-9-28-10-12-30)19-15-29-8-7-21(19)31(25)18-5-3-2-4-6-18/h2-8,13-15,28H,9-12H2,1H3
InChiKey KCNCOEDICAEBKM-UHFFFAOYSA-N
Formula C25H22F2N4O2 Molecular Weight 448.46
Cross Link CHEMBL1824639
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
 

 

54857 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', 'CFAMM00282140'),None, txtsearch, CFAMM00282140|