CFam Chemical Families Database
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You are searching for "CFAMM00330372" in compound.

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CFAM Mol ID CFAMM00330372
Family CFFBM2096 Endothelin B receptor and Endothelin-1 receptor ligand SureCN8180058 family
Superfamily CFSCD179 Endothelin-1 receptor Ligand Atrasentan Superfamily
Class CFCCD141 Class 954
External ID CHEMBL332794 External Source CHEMBL
PubChem CID 5310991 Functional Category Bioactive
Molecule Name A192621
IUPAC Name (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(2,6-diethylanilino)-2-oxoethyl]-2-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid
Synonyms A-192621;AC1NSJS8;SureCN1030269;GTPL1009;UNII-5XE882529E;CHEBI:300015;A-192621-1;A-192621.1;(2R,3R,4S)-2-(4-propoxyphenyl)-4-(1,3-benzodioxol-5-yl)-1-(N-[2,6-diethylphenyl]acetamido)pyrrolidine-3-carboxylic acid
InChi InChI=1S/C33H38N2O6/c1-4-16-39-25-13-10-23(11-14-25)32-30(33(37)38)26(24-12-15-27-28(17-24)41-20-40-27)18-35(32)19-29(36)34-31-21(5-2)8-7-9-22(31)6-3/h7-15,17,26,30,32H,4-6,16,18-20H2,1-3H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1
InChiKey LQEHCKYYIXQEBM-FUKIBTTHSA-N
Formula C33H38N2O6 Molecular Weight 558.66
Cross Link CHEMBL332794
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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