CFam Chemical Families Database
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You are searching for "CFAMM00344129" in compound.

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CFAM Mol ID CFAMM00344129
Family CFFBM3172 B2 bradykinin receptor ligand (E)-3-[6-(2-oxopyrrolidin-1-yl)pyridin-3-yl]-N-[2-oxo-2-[N,2,4-trimethyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]ethyl]prop-2-enamide;dihydrochloride family
Superfamily CFSBM659 B2 bradykinin receptor Binder Superfamily
Class CFCAD297 Class 297
External ID CHEMBL295428 External Source CHEMBL
PubChem CID 10745895 Functional Category Bioactive
Molecule Name SureCN7976932
IUPAC Name N-methyl-4-[(E)-3-oxo-3-[[2-oxo-2-[N,2,4-trimethyl-3-[(1-methyl-2-methylsulfanylbenzimidazol-4-yl)oxymethyl]anilino]ethyl]amino]prop-1-enyl]benzamide
Synonyms CHEBI:163777
InChi InChI=1S/C32H35N5O4S/c1-20-10-16-25(21(2)24(20)19-41-27-9-7-8-26-30(27)35-32(42-6)37(26)5)36(4)29(39)18-34-28(38)17-13-22-11-14-23(15-12-22)31(40)33-3/h7-17H,18-19H2,1-6H3,(H,33,40)(H,34,38)/b17-13+
InChiKey MMPHSTMNPUNBCB-GHRIWEEISA-N
Formula C32H35N5O4S Molecular Weight 585.72
Cross Link CHEMBL295428
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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