CFam Chemical Families Database
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You are searching for "CFAMM00435105" in compound.

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CFAM Mol ID CFAMM00435105
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 CHEMBL45838 External Source CHEMBL
PubChem CID 481963 Functional Category Bioactive
Molecule Name AC1LA5QQ
IUPAC Name tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-4-phenyl-3-[(3,3,3-trifluoro-2-hydroxypropanoyl)amino]butyl]amino]-1-phenylbutan-2-yl]carbamate
Synonyms CHEBI:172914;[1R*,2S*(2S*,3R*)]]-[2-Hydroxy-1(phenylmethyl)-9-[[2-hydroxy-4-phenyl-3-[(3,3,3-trifluoro-2-hydroxy-1-oxopropyl)amino]butyl]amino]propyl]carbamic acid, 1,1-dimethylethyl ester;[1S-[1R*,2S*(2S*,3R*)]]-[2-hydroxy-1-(phenylmethyl)-3-[[2-hydroxy-4-phenyl-3-[(3,3,3-trifluoro-2-hydroxy-1-oxopropyl)amino]butyl]amino]propyl]carbamic acid, 1,1-dimethylethyl ester;tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-4-phenyl-3-[(3,3,3-trifluoro-2-hydroxypropanoyl)amino]butyl]amino]-1-phenylbutan-2-yl]carbamate
InChi InChI=1S/C28H38F3N3O6/c1-27(2,3)40-26(39)34-21(15-19-12-8-5-9-13-19)23(36)17-32-16-22(35)20(14-18-10-6-4-7-11-18)33-25(38)24(37)28(29,30)31/h4-13,20-24,32,35-37H,14-17H2,1-3H3,(H,33,38)(H,34,39)/t20-,21-,22+,23+,24?/m0/s1
InChiKey ALTVMWYJEWQTBB-NNKIWQPVSA-N
Formula C28H38F3N3O6 Molecular Weight 569.61
Cross Link CHEMBL45838
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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