CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00282202" 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 CFAMM00282202
Family CFFID3015 Bifunctional epoxide hydrolase 2 Inhibitor 6-amino-n-(2,4-dichlorobenzyl)nicotinamide Family
Superfamily CFSID2116 Bifunctional epoxide hydrolase 2 Inhibitor 6-amino-n-(2,4-dichlorobenzyl)nicotinamide Superfamily
Class CFCAD11 Class 11
External ID 56999281 External Source PubChem
PubChem CID 56999281 Functional Category Patent Compound
Molecule Name AGN-PC-0BLVU5
IUPAC Name methyl 3-[4-[[4-chloro-2-[(5-chloropyridin-2-yl)carbamoyl]anilino]methyl]piperidin-1-yl]-2-methylpropanoate
Synonyms methyl 3-[4-[[4-chloro-2-[(5-chloropyridin-2-yl)carbamoyl]anilino]methyl]piperidin-1-yl]-2-methylpropanoate
InChi InChI=1S/C23H28Cl2N4O3/c1-15(23(31)32-2)14-29-9-7-16(8-10-29)12-26-20-5-3-17(24)11-19(20)22(30)28-21-6-4-18(25)13-27-21/h3-6,11,13,15-16,26H,7-10,12,14H2,1-2H3,(H,27,28,30)
InChiKey DPTJXLHXGWIQIM-UHFFFAOYSA-N
Formula C23H28Cl2N4O3 Molecular Weight 479.40
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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