CFam Chemical Families Database
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You are searching for "CFAMM00382150" in compound.

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CFAM Mol ID CFAMM00382150
Family CFFBM7677 Pol polyprotein inhibitor Sulfone deriv. 31 family
Superfamily CFSBM1 Renin and Pol polyprotein Binder Superfamily
Class CFCAD168 Class 168
External ID CHEMBL278416 External Source CHEMBL
PubChem CID 455510 Functional Category Bioactive
Molecule Name sulfone deriv. 34
IUPAC Name [(2S,3S)-2-cyclopentyl-1,1-dioxothiolan-3-yl] N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Synonyms AC1L9SZB;[(2S,3S)-2-cyclopentyl-1,1-dioxothiolan-3-yl] N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate;2-[3-[3-(S)-[[(2-cis-Cyclopentyl-1,1-dioxotetrahydrothienyloxy)carbonyl]amino]-4-phenyl-2(R)-hydroxybutyl]]-N-(1,1-dimethylethyl)decahydro-3-isoquinolinecarboxamide
InChi InChI=1S/C34H53N3O6S/c1-34(2,3)36-32(39)28-20-25-15-9-10-16-26(25)21-37(28)22-29(38)27(19-23-11-5-4-6-12-23)35-33(40)43-30-17-18-44(41,42)31(30)24-13-7-8-14-24/h4-6,11-12,24-31,38H,7-10,13-22H2,1-3H3,(H,35,40)(H,36,39)/t25-,26+,27-,28-,29+,30-,31-/m0/s1
InChiKey SCVGALCLJNKWJI-MXKPVQFSSA-N
Formula C34H53N3O6S Molecular Weight 631.87
Cross Link CHEMBL278416
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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Professor in Department of Pharmacy
National University of Singapore, Singapore


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