CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00279172" 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 CFAMM00279172
Family CFFID2891 B2 bradykinin receptor Ligand FR-173657 Family
Superfamily CFSID2045 B2 bradykinin receptor Ligand FR-173657 Superfamily
Class CFCID664 Class 2014
External ID 53679991 External Source PubChem
PubChem CID 53679991 Functional Category Patent Compound
Molecule Name SureCN6964351
IUPAC Name 4-[3-[[2-[2,4-dichloro-N-methyl-3-[[2-methyl-4-(1,2,4-triazol-1-yl)quinolin-8-yl]oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N,N-dimethylbenzamide
Synonyms AGN-PC-020243;4-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[[2-methyl-4-(1,2,4-triazol-1-yl)quinolin-8-yl]oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N,N-dimethylbenzamide
InChi InChI=1S/C34H31Cl2N7O4/c1-21-16-28(43-20-37-19-39-43)24-6-5-7-29(33(24)40-21)47-18-25-26(35)13-14-27(32(25)36)42(4)31(45)17-38-30(44)15-10-22-8-11-23(12-9-22)34(46)41(2)3/h5-16,19-20H,17-18H2,1-4H3,(H,38,44)
InChiKey BFYDBRPENDXCMU-UHFFFAOYSA-N
Formula C34H31Cl2N7O4 Molecular Weight 672.56
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
 

 

27759 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', 'CFAMM00279172'),None, txtsearch, CFAMM00279172|