CFam Chemical Families Database
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You are searching for "CFAMM00165118" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00165118
Family CFFCD568 Genomic RNA for RNA-dependent RNA polymerase gene (clone HCV-J33) Inhibitor MK-3281 Family
Superfamily CFSCD149 Phospholipase A2, membrane associated and Genomic RNA for RNA-dependent RNA polymerase gene (clone HCV-J33) Binder Superfamily
Class CFCAD297 Class 297
External ID CHEMBL216647 External Source CHEMBL
PubChem CID 11987832 Functional Category Bioactive
Molecule Name N-[(13-Cyclohexyl-6,7-Dihydroindolo[1,2-D][1,4]benzoxazepin-10-Yl)carbonyl]-2-Methyl-L-Alanine
IUPAC Name 2-[(13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carbonyl)amino]-2-methylpropanoic acid
Synonyms 2dxs;AGN-PC-00JB5N;SureCN2202168;CHEBI:461787;DB08031;JTP;2-({18-cyclohexyl-8-oxa-11-azatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octadeca-1(18),2,4,6,12,14,16-heptaen-14-yl}formamido)-2-methylpropanoic acid;2-[(13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carbonyl)amino]-2-methylpropanoic acid
InChi InChI=1S/C27H30N2O4/c1-27(2,26(31)32)28-25(30)18-12-13-19-21(16-18)29-14-15-33-22-11-7-6-10-20(22)24(29)23(19)17-8-4-3-5-9-17/h6-7,10-13,16-17H,3-5,8-9,14-15H2,1-2H3,(H,28,30)(H,31,32)
InChiKey LNQWELVSNCYKDU-UHFFFAOYSA-N
Formula C27H30N2O4 Molecular Weight 446.54
Cross Link CHEMBL216647 DB08031
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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