CFam Chemical Families Database
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You are searching for "CFAMM00339196" in compound.

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CFAM Mol ID CFAMM00339196
Family CFFBM2903 B2 bradykinin receptor ligand 4-[(E)-3-[[2-[2,4-dichloro-3-[[4-(dimethylamino)-2-methylquinolin-8-yl]oxymethyl]-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N,N-dimethylbenzamide;hydrochloride family
Superfamily CFSBM682 B2 bradykinin receptor and Melanin-concentrating hormone receptor 1 Binder Superfamily
Class CFCBM256 Class 3306
External ID CHEMBL553293 External Source CHEMBL
PubChem CID 22112909 Functional Category Bioactive
Molecule Name SureCN7747292
IUPAC Name (E)-N-[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide;hydrochloride
Synonyms
InChi InChI=1S/C33H30Cl2N4O4.ClH/c1-21-8-12-23-5-3-6-28(33(23)37-21)43-20-25-26(34)15-16-27(32(25)35)38(2)31(42)19-36-29(40)17-11-22-9-13-24(14-10-22)39-18-4-7-30(39)41;/h3,5-6,8-17H,4,7,18-20H2,1-2H3,(H,36,40);1H/b17-11+;
InChiKey GQJBLGBNZQAVSX-SJDTYFKWSA-N
Formula C33H31Cl3N4O4 Molecular Weight 653.98
Cross Link CHEMBL553293
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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