CFam Chemical Families Database
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You are searching for "CFAMM00339192" in compound.

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CFAM Mol ID CFAMM00339192
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 CHEMBL544482 External Source CHEMBL
PubChem CID 45260048 Functional Category Bioactive
Molecule Name 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-methylbenzamide;hydrochloride
IUPAC Name 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-methylbenzamide;hydrochloride
Synonyms
InChi InChI=1S/C33H33Cl2N5O4.ClH/c1-20-17-27(39(3)4)23-7-6-8-28(32(23)38-20)44-19-24-25(34)14-15-26(31(24)35)40(5)30(42)18-37-29(41)16-11-21-9-12-22(13-10-21)33(43)36-2;/h6-17H,18-19H2,1-5H3,(H,36,43)(H,37,41);1H/b16-11+;
InChiKey DTXULUWKFDLWTE-YFMOEUEHSA-N
Formula C33H34Cl3N5O4 Molecular Weight 671.01
Cross Link CHEMBL544482
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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