CFam Chemical Families Database
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You are searching for "CFAMM00330367" 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 CFAMM00330367
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 CHEMBL331625 External Source CHEMBL
PubChem CID 10816963 Functional Category Bioactive
Molecule Name SureCN8180058
IUPAC Name (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(2,6-diethylanilino)-2-oxoethyl]-2-[4-(2-methoxyethoxy)phenyl]pyrrolidine-3-carboxylic acid
Synonyms CHEBI:300184
InChi InChI=1S/C33H38N2O7/c1-4-21-7-6-8-22(5-2)31(21)34-29(36)19-35-18-26(24-11-14-27-28(17-24)42-20-41-27)30(33(37)38)32(35)23-9-12-25(13-10-23)40-16-15-39-3/h6-14,17,26,30,32H,4-5,15-16,18-20H2,1-3H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1
InChiKey YPCZZHQNKFJAOP-FUKIBTTHSA-N
Formula C33H38N2O7 Molecular Weight 574.66
Cross Link CHEMBL331625
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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