CFam Chemical Families Database
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You are searching for "CFAMM00164864" in compound.

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CFAM Mol ID CFAMM00164864
Family CFFCD557 NS5A protein Inhibitor Bms 790052 Family
Superfamily CFSCD507 NS5A protein Inhibitor Bms 790052 Superfamily
Class CFCCD357 Class 1170
External ID CHEMBL140155 External Source CHEMBL
PubChem CID 44361027 Functional Category Bioactive
Molecule Name (2S)-2-amino-3-(1H-imidazol-5-yl)-N-[(2R)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-3-naphthalen-2-yl-1-oxopropan-2-yl]propanamide
IUPAC Name (2S)-2-amino-3-(1H-imidazol-5-yl)-N-[(2R)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-3-naphthalen-2-yl-1-oxopropan-2-yl]propanamide
Synonyms CHEBI:334948
InChi InChI=1S/C32H36N6O4S/c1-43(41,42)38-20-32(26-8-4-5-9-29(26)38)12-14-37(15-13-32)31(40)28(36-30(39)27(33)18-25-19-34-21-35-25)17-22-10-11-23-6-2-3-7-24(23)16-22/h2-11,16,19,21,27-28H,12-15,17-18,20,33H2,1H3,(H,34,35)(H,36,39)/t27-,28+/m0/s1
InChiKey CNEVNNMBIGDVSA-WUFINQPMSA-N
Formula C32H36N6O4S Molecular Weight 600.73
Cross Link CHEMBL140155
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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