CFam Chemical Families Database
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You are searching for "CFAMM00279305" 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.

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CFAM Mol ID CFAMM00279305
Family CFFID2891 B2 bradykinin receptor Ligand FR-173657 Family
Superfamily CFSID2045 B2 bradykinin receptor Ligand FR-173657 Superfamily
Class CFCID664 Class 2014
External ID CHEMBL544599 External Source CHEMBL
PubChem CID 22113392 Functional Category Bioactive
Molecule Name SureCN7747399
IUPAC Name (E)-3-(4-acetamidophenyl)-N-[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]prop-2-enamide;hydrochloride
Synonyms
InChi InChI=1S/C31H28Cl2N4O4.ClH/c1-19-7-11-22-5-4-6-27(31(22)35-19)41-18-24-25(32)14-15-26(30(24)33)37(3)29(40)17-34-28(39)16-10-21-8-12-23(13-9-21)36-20(2)38;/h4-16H,17-18H2,1-3H3,(H,34,39)(H,36,38);1H/b16-10+;
InChiKey OEZSQGWLJRHUDT-QFHYWFJHSA-N
Formula C31H29Cl3N4O4 Molecular Weight 627.95
Cross Link CHEMBL544599
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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