CFam Chemical Families Database
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You are searching for "CFAMM00142121" in compound.

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CFAM Mol ID CFAMM00142121
Family CFFCD196 Endothelin-1 receptor Ligand Atrasentan Family
Superfamily CFSCD179 Endothelin-1 receptor Ligand Atrasentan Superfamily
Class CFCCD141 Class 954
External ID CHEMBL158823 External Source CHEMBL
PubChem CID 10325620 Functional Category Bioactive
Molecule Name SureCN7286890
IUPAC Name (2R)-4-(5,7-dioxo-[1,3]dioxolo[4,5-f]isoindol-6-yl)-2-[[(2S)-4-methyl-1-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]butanoic acid
Synonyms CHEBI:366139
InChi InChI=1S/C29H34N4O8/c1-16(2)11-21(26(35)32-22(25(34)30-3)12-17-7-5-4-6-8-17)31-20(29(38)39)9-10-33-27(36)18-13-23-24(41-15-40-23)14-19(18)28(33)37/h4-8,13-14,16,20-22,31H,9-12,15H2,1-3H3,(H,30,34)(H,32,35)(H,38,39)/t20-,21+,22+/m1/s1
InChiKey HGYBTJHBZBLHNW-FSSWDIPSSA-N
Formula C29H34N4O8 Molecular Weight 566.60
Cross Link CHEMBL158823
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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