CFam Chemical Families Database
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You are searching for "CFAMM00371127" in compound.

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CFAM Mol ID CFAMM00371127
Family CFFBM6253 Endothelin B receptor ligand 4-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]-7-[methyl(methylsulfonyl)amino]-2-oxo-[1]benzofuro[3,2-b]pyridine-3-carboxylic acid family
Superfamily CFSBM3604 Endothelin B receptor and Endothelin-1 receptor Binder Superfamily
Class CFCID335 Class 1685
External ID CHEMBL156194 External Source CHEMBL
PubChem CID 21462932 Functional Category Bioactive
Molecule Name AGN-PC-03B8BI
IUPAC Name 7-(methanesulfonamido)-4-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]-2-oxo-[1]benzofuro[3,2-b]pyridine-3-carboxylic acid
Synonyms SureCN8805398;CHEBI:361399;7-(methanesulfonamido)-4-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]-2-oxo-[1]benzofuro[3,2-b]pyridine-3-carboxylic acid
InChi InChI=1S/C28H24N2O8S/c1-36-19-11-8-16(9-12-19)23-24(28(32)33)27(31)30(15-17-6-4-5-7-21(17)37-2)25-20-13-10-18(29-39(3,34)35)14-22(20)38-26(23)25/h4-14,29H,15H2,1-3H3,(H,32,33)
InChiKey SSFYFPFPUBLPRC-UHFFFAOYSA-N
Formula C28H24N2O8S Molecular Weight 548.56
Cross Link CHEMBL156194
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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