CFam Chemical Families Database
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You are searching for "CFAMM00470621" in compound.

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CFAM Mol ID CFAMM00470621
Family CFFBM24594 Neutrophil elastase inhibitor 1-oxo-2-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-4,9-dihydro-3H-pyrido[3,4-b]indole-8-carboxylic acid family
Superfamily CFSBM5268 KiSS-1 receptor and Neutrophil elastase Binder Superfamily
Class CFCBM330 Class 3380
External ID CHEMBL174548 External Source CHEMBL
PubChem CID 10343129 Functional Category Bioactive
Molecule Name 1-oxo-2-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-4,9-dihydro-3H-pyrido[3,4-b]indole-8-carboxylic acid
IUPAC Name 1-oxo-2-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-4,9-dihydro-3H-pyrido[3,4-b]indole-8-carboxylic acid
Synonyms CHEBI:392476
InChi InChI=1S/C20H20F3N3O5/c1-9(2)14(17(28)20(21,22)23)24-13(27)8-26-7-6-11-10-4-3-5-12(19(30)31)15(10)25-16(11)18(26)29/h3-5,9,14,25H,6-8H2,1-2H3,(H,24,27)(H,30,31)
InChiKey GDDHWJRVOJSAHA-UHFFFAOYSA-N
Formula C20H20F3N3O5 Molecular Weight 439.39
Cross Link CHEMBL174548
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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