CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00049290" 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 CFAMM00049290
Family CFFAD314 Cytochrome P450 11B1, mitochondrial Inhibitor Metyrapone Family
Superfamily CFSAD269 Cytochrome P450 11B1, mitochondrial Inhibitor Metyrapone Superfamily
Class CFCAD255 Class 255
External ID CHEMBL90996 External Source CHEMBL
PubChem CID 14277779 Functional Category Bioactive
Molecule Name 2,3,5-trimethyl-6-(1-pyridin-3-ylpropyl)cyclohexa-2,5-diene-1,4-dione
IUPAC Name 2,3,5-trimethyl-6-(1-pyridin-3-ylpropyl)cyclohexa-2,5-diene-1,4-dione
Synonyms AGN-PC-000X78;CHEBI:251019;2,5-Cyclohexadiene-1,4-dione, 2,3,5-trimethyl-6-[1-(3-pyridinyl)propyl]-
InChi InChI=1S/C17H19NO2/c1-5-14(13-7-6-8-18-9-13)15-12(4)16(19)10(2)11(3)17(15)20/h6-9,14H,5H2,1-4H3
InChiKey AQJKAHQHXCHLRJ-UHFFFAOYSA-N
Formula C17H19NO2 Molecular Weight 269.34
Cross Link CHEMBL90996
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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