CFam Chemical Families Database
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You are searching for "CFAMM00382158" in compound.

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CFAM Mol ID CFAMM00382158
Family CFFBM7677 Pol polyprotein inhibitor Sulfone deriv. 31 family
Superfamily CFSBM1 Renin and Pol polyprotein Binder Superfamily
Class CFCAD168 Class 168
External ID CHEMBL76338 External Source CHEMBL
PubChem CID 462731 Functional Category Bioactive
Molecule Name AC1LA6PV
IUPAC Name [(2R,3R)-1,1-dioxo-2-propan-2-ylthiolan-3-yl] N-[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)-4-[(3,5-dimethylphenyl)methyl]piperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Synonyms CHEBI:217545;[(2R,3R)-1,1-dioxo-2-propan-2-ylthiolan-3-yl] N-[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)-4-[(3,5-dimethylphenyl)methyl]piperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate;Carbamic acid, [(1S,2R)-3-[(2S)-2-[[(1,1-dimethylethyl)amino]carbonyl]-4-[(3,5-dimethylphenyl)methyl]-1-piperazinyl]-2-hydroxy-1-(phenylmethyl)propyl]-, (2R,3R)-tetrahydro-2-(1-methylethyl)-1,1-dioxid
InChi InChI=1S/C36H54N4O6S/c1-24(2)33-32(13-16-47(33,44)45)46-35(43)37-29(20-27-11-9-8-10-12-27)31(41)23-40-15-14-39(21-28-18-25(3)17-26(4)19-28)22-30(40)34(42)38-36(5,6)7/h8-12,17-19,24,29-33,41H,13-16,20-23H2,1-7H3,(H,37,43)(H,38,42)/t29-,30-,31+,32+,33+/m0/s1
Formula C36H54N4O6S Molecular Weight 670.90
Cross Link CHEMBL76338

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).

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