CFam Chemical Families Database
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You are searching for "CFAMM00321731" in compound.

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CFAM Mol ID CFAMM00321731
Family CFFBM1302 Thromboxane A2 receptor ligand 11-[2-[(3-methylthiophene-2-carbonyl)amino]ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid family
Superfamily CFSBM744 Thyrotropin receptor and Endothelin-1 receptor Binder Superfamily
Class CFCID651 Class 2001
External ID 23204249 External Source PubChem
PubChem CID 23204249 Functional Category Patent Compound
Molecule Name SureCN8549902
IUPAC Name ethyl 4-[2-(2-cyanoethylcarbamoyl)-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate
Synonyms
InChi InChI=1S/C28H30N2O5S/c1-3-33-27(31)12-11-25(23-8-5-4-7-20(23)2)35-26-17-22(34-18-21-13-16-36-19-21)9-10-24(26)28(32)30-15-6-14-29/h4-5,7-10,13,16-17,19,25H,3,6,11-12,15,18H2,1-2H3,(H,30,32)
InChiKey NXORNHCMKITHHI-UHFFFAOYSA-N
Formula C28H30N2O5S Molecular Weight 506.61
Cross Link
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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