CFam Chemical Families Database
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You are searching for "CFAMM00320361" in compound.

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CFAM Mol ID CFAMM00320361
Family CFFBM1179 Endothelin-1 receptor and Endothelin B receptor ligand (2R,3R,4S)-4-(1-benzofuran-6-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid family
Superfamily CFSBM667 Endothelin-1 receptor and Endothelin B receptor Binder Superfamily 4
Class CFCAD579 Class 579
External ID CHEMBL112832 External Source CHEMBL
PubChem CID 10391487 Functional Category Bioactive
Molecule Name (2R,3R,4S)-4-(1-benzofuran-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
IUPAC Name (2R,3R,4S)-4-(1-benzofuran-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
Synonyms CHEBI:283881
InChi InChI=1S/C30H38N2O5/c1-4-6-15-31(16-7-5-2)27(33)20-32-19-25(22-10-13-26-23(18-22)14-17-37-26)28(30(34)35)29(32)21-8-11-24(36-3)12-9-21/h8-14,17-18,25,28-29H,4-7,15-16,19-20H2,1-3H3,(H,34,35)/t25-,28-,29+/m1/s1
InChiKey CSDXUYVBDBLUJV-ZJGIAAPESA-N
Formula C30H38N2O5 Molecular Weight 506.63
Cross Link CHEMBL112832
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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