CFam Chemical Families Database
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You are searching for "CFAMM00435107" in compound.

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CFAM Mol ID CFAMM00435107
Family CFFBM15605 Pol polyprotein inhibitor AC1LA3C0 family
Superfamily CFSBM4600 Cytochrome P450 3A4 and Corticosteroid 11-beta-dehydrogenase isozyme 1 Binder Superfamily
Class CFCID1194 Class 2544
External ID CHEMBL142990 External Source CHEMBL
PubChem CID 460478 Functional Category Bioactive
Molecule Name AC1LA2J5
IUPAC Name tert-butyl N-[(2S,3R)-4-[[(2R,3S)-3-[(1,3-dihydroxy-2-methylpropan-2-yl)oxycarbonylamino]-2-hydroxy-4-phenylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Synonyms CHEBI:336471;4,8-Dihydroxy-14-hydroxy-13-(hydroxymethyl)-13-methyl-11-oxo-3,9-bis(phenylmethyl)-12-oxa-2,6,10-triazatetradecanoic acid, 1,1-dimethylethyl-ester, [3S-(3R*,4S*,8S*,9R*)]-;tert-butyl N-[(2S,3R)-4-[[(2R,3S)-3-[(1,3-dihydroxy-2-methylpropan-2-yl)oxycarbonylamino]-2-hydroxy-4-phenylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
InChi InChI=1S/C30H45N3O8/c1-29(2,3)40-27(38)32-23(15-21-11-7-5-8-12-21)25(36)17-31-18-26(37)24(16-22-13-9-6-10-14-22)33-28(39)41-30(4,19-34)20-35/h5-14,23-26,31,34-37H,15-20H2,1-4H3,(H,32,38)(H,33,39)/t23-,24-,25+,26+/m0/s1
InChiKey CHMRPYLEKGNQDE-QEGGNFSNSA-N
Formula C30H45N3O8 Molecular Weight 575.69
Cross Link CHEMBL142990
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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