CFam Chemical Families Database
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You are searching for "CFAMM00142236" in compound.

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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 CFAMM00142236
Family CFFCD196 Endothelin-1 receptor Ligand Atrasentan Family
Superfamily CFSCD179 Endothelin-1 receptor Ligand Atrasentan Superfamily
Class CFCCD141 Class 954
External ID CHEMBL417972 External Source CHEMBL
PubChem CID 10765750 Functional Category Bioactive
Molecule Name (2S,3S,4R)-4-(1,3-benzodioxol-5-yl)-1-(2-ethylsulfinylethyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
IUPAC Name (2S,3S,4R)-4-(1,3-benzodioxol-5-yl)-1-(2-ethylsulfinylethyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
Synonyms CHEBI:105034
InChi InChI=1S/C23H27NO6S/c1-3-31(27)11-10-24-13-18(16-6-9-19-20(12-16)30-14-29-19)21(23(25)26)22(24)15-4-7-17(28-2)8-5-15/h4-9,12,18,21-22H,3,10-11,13-14H2,1-2H3,(H,25,26)/t18-,21-,22+,31?/m0/s1
InChiKey QEYLNCFKHHSXKD-AIXFWYKWSA-N
Formula C23H27NO6S Molecular Weight 445.53
Cross Link CHEMBL417972
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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