CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00285723" in compound.

Total 1 results found.

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 CFAMM00285723
Family CFFID3171 Steroid 17-alpha-hydroxylase/17,20 lyase Inhibitor 1-(4-nitrobenzyl)-1h-imidazole Family
Superfamily CFSID1366 Cytochrome P450 11B1, mitochondrial and Steroid 17-alpha-hydroxylase/17,20 lyase Binder Superfamily
Class CFCID639 Class 1989
External ID 54135060 External Source PubChem
PubChem CID 54135060 Functional Category Patent Compound
Molecule Name AGN-PC-0A3NTX
IUPAC Name N-[2-methyl-1-(3-methylimidazol-3-ium-1-yl)propan-2-yl]-4-nitroaniline
Synonyms N-[2-methyl-1-(3-methylimidazol-3-ium-1-yl)propan-2-yl]-4-nitroaniline
InChi InChI=1S/C14H19N4O2/c1-14(2,10-17-9-8-16(3)11-17)15-12-4-6-13(7-5-12)18(19)20/h4-9,11,15H,10H2,1-3H3/q+1
InChiKey NXCIKKCGTFAGDA-UHFFFAOYSA-N
Formula C14H19N4O2+ Molecular Weight 275.33
Cross Link
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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