CFAM Mol ID	CFAMM00382141
Family	CFFBM7677 Pol polyprotein inhibitor Sulfone deriv. 31 family
Superfamily	CFSBM1 Renin and Pol polyprotein Binder Superfamily
Class	CFCAD168 Class 168
External ID	CHEMBL327194	External Source	CHEMBL
PubChem CID	461616	Functional Category	Bioactive
Molecule Name	AC1LA4LO
IUPAC Name	[(2R,3R)-1,1-dioxo-2-propan-2-ylthiolan-3-yl] N-[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)-4-octylpiperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Synonyms	1-(2OHPr)-4-Substit-piperazine, thienyl carbamate deriv. 2;(2R,3R)-2-Isopropyl-1,1-dioxidotetrahydro-3-thienyl ((1S,2R)-1-benzyl-3-{(2S)-2-[(tert-butylamino)carbonyl]-4-octylpiperazin-1-yl}-2-hydroxypropyl)carbamate;[(2R,3R)-1,1-dioxo-2-propan-2-ylthiolan-3-yl] N-[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)-4-octylpiperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
InChi	InChI=1S/C35H60N4O6S/c1-7-8-9-10-11-15-19-38-20-21-39(29(24-38)33(41)37-35(4,5)6)25-30(40)28(23-27-16-13-12-14-17-27)36-34(42)45-31-18-22-46(43,44)32(31)26(2)3/h12-14,16-17,26,28-32,40H,7-11,15,18-25H2,1-6H3,(H,36,42)(H,37,41)/t28-,29-,30+,31+,32+/m0/s1
InChiKey	ODUDZQZUKNNLMD-PCYHVKPNSA-N
Formula	C35H60N4O6S	Molecular Weight	664.94
Cross Link	CHEMBL327194
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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