CFam Chemical Families Database
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You are searching for "CFAMM00382147" in compound.

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CFAM Mol ID CFAMM00382147
Family CFFBM7677 Pol polyprotein inhibitor Sulfone deriv. 31 family
Superfamily CFSBM1 Renin and Pol polyprotein Binder Superfamily
Class CFCAD168 Class 168
External ID CHEMBL321778 External Source CHEMBL
PubChem CID 461642 Functional Category Bioactive
Molecule Name 174173-74-1
IUPAC Name [(2S,3S)-1,1-dioxo-2-propan-2-ylthiolan-3-yl] N-[(2S,3R)-4-[(3aR,6S,7aS)-6-(tert-butylcarbamoyl)-3,3a,4,6,7,7a-hexahydro-2H-thieno[3,2-c]pyridin-5-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Synonyms 5-(3(R)-(((2(S)-cis-Isopropyl-1,1-dioxotetrahydrothienyl-3(S)-oxy)carbonyl)amino)-4-phenyl-2(R)-hydroxybutyl)-N-(1,1-dimethylethyl)octahydrothieno(3,2-c)pyridine-6(R)-carboxamide;5-[3(R)-[[(2(S)-cis-Isopropyl-1,1-dioxotetrahydrothienyl-3(S)-oxy)carbonyl]amino]-4-phenyl-2(R)-hydroxybutyl]-N-(1,1-dimethylethyl)octahydrothieno[3,2-c]pyridine-6(R)-carboxamide;AC1LA4NR;CHEBI:260349;[(2S,3S)-1,1-dioxo-2-propan-2-ylthiolan-3-yl] N-[(2S,3R)-4-[(3aR,6S,7aS)-6-(tert-butylcarbamoyl)-3,3a,4,6,7,7a-hexahydro-2H-thieno[3,2-c]pyridin-5-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
InChi InChI=1S/C30H47N3O6S2/c1-19(2)27-25(12-14-41(27,37)38)39-29(36)31-22(15-20-9-7-6-8-10-20)24(34)18-33-17-21-11-13-40-26(21)16-23(33)28(35)32-30(3,4)5/h6-10,19,21-27,34H,11-18H2,1-5H3,(H,31,36)(H,32,35)/t21-,22+,23+,24-,25+,26+,27+/m1/s1
InChiKey NYGTUPVXRQEYFU-QWZPYLIWSA-N
Formula C30H47N3O6S2 Molecular Weight 609.84
Cross Link CHEMBL321778
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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National University of Singapore, Singapore


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