CFam Chemical Families Database
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You are searching for "CFAMM00440652" in compound.

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CFAM Mol ID CFAMM00440652
Family CFFBM17118 Pol polyprotein inhibitor AC1LA3B0 family
Superfamily CFSBM6365 Pol polyprotein Binder Superfamily 41
Class CFCCD67 Class 880
External ID CHEMBL191849 External Source CHEMBL
PubChem CID 460975 Functional Category Bioactive
Molecule Name AC1LA3C9
IUPAC Name benzyl N-[(2S,3S,5S)-5-[(4-amino-3-methoxybenzoyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate
Synonyms Benzamide hydroxypropyl deriv.;CHEBI:248838;4NH2-3MeO N-OHBu-BzNH, PhCH2 Cbz deriv.;Benzyl N-[4-[(4-amino-3-methoxybenzamido)-1,3-dibenzylbutyl]carbamate;benzyl N-[(2S,3S,5S)-5-[(4-amino-3-methoxybenzoyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate
InChi InChI=1S/C34H37N3O5/c1-41-32-21-27(17-18-29(32)35)33(39)36-28(19-24-11-5-2-6-12-24)22-31(38)30(20-25-13-7-3-8-14-25)37-34(40)42-23-26-15-9-4-10-16-26/h2-18,21,28,30-31,38H,19-20,22-23,35H2,1H3,(H,36,39)(H,37,40)/t28-,30-,31-/m0/s1
InChiKey OQLOEARFMDSRML-ASVWTAOFSA-N
Formula C34H37N3O5 Molecular Weight 567.67
Cross Link CHEMBL191849
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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