CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00248907" 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 CFAMM00248907
Family CFFID1740 Bifunctional epoxide hydrolase 2 Inhibitor N-(3-chloro-phenyl)-2-cyclohexyl-acetamide Family
Superfamily CFSID1338 Cruzipain and Bifunctional epoxide hydrolase 2 Binder Superfamily
Class CFCAD564 Class 564
External ID CHEMBL1288169 External Source CHEMBL
PubChem CID 52947375 Functional Category Bioactive
Molecule Name N-[3-chloro-4-[4-(2-methylpropylamino)piperidin-1-yl]phenyl]-2-methyl-2-phenylpropanamide
IUPAC Name N-[3-chloro-4-[4-(2-methylpropylamino)piperidin-1-yl]phenyl]-2-methyl-2-phenylpropanamide
Synonyms AGN-PC-09M88K;N-[3-chloro-4-[4-(2-methylpropylamino)piperidin-1-yl]phenyl]-2-methyl-2-phenylpropanamide
InChi InChI=1S/C25H34ClN3O/c1-18(2)17-27-20-12-14-29(15-13-20)23-11-10-21(16-22(23)26)28-24(30)25(3,4)19-8-6-5-7-9-19/h5-11,16,18,20,27H,12-15,17H2,1-4H3,(H,28,30)
InChiKey TYZKGTMEWCRMDR-UHFFFAOYSA-N
Formula C25H34ClN3O Molecular Weight 428.01
Cross Link CHEMBL1288169
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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