CFam Chemical Families Database
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You are searching for "CFAMM00279242" in compound.

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CFAM Mol ID CFAMM00279242
Family CFFID2891 B2 bradykinin receptor Ligand FR-173657 Family
Superfamily CFSID2045 B2 bradykinin receptor Ligand FR-173657 Superfamily
Class CFCID664 Class 2014
External ID CHEMBL539294 External Source CHEMBL
PubChem CID 45265127 Functional Category Bioactive
Molecule Name 4-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-pyridin-4-ylbenzamide;dihydrochloride
IUPAC Name 4-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-pyridin-4-ylbenzamide;dihydrochloride
Synonyms
InChi InChI=1S/C35H29Cl2N5O4.2ClH/c1-22-6-10-24-4-3-5-30(34(24)40-22)46-21-27-28(36)13-14-29(33(27)37)42(2)32(44)20-39-31(43)15-9-23-7-11-25(12-8-23)35(45)41-26-16-18-38-19-17-26;;/h3-19H,20-21H2,1-2H3,(H,39,43)(H,38,41,45);2*1H/b15-9+;;
InChiKey PPELBCLJAHOUFC-CBNWXSEKSA-N
Formula C35H31Cl4N5O4 Molecular Weight 727.46
Cross Link CHEMBL539294
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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