CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00254773" 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 CFAMM00254773
Family CFFID1945 Dipeptidyl peptidase 4 Inhibitor (2-chloro-6-phenoxyphenyl)methanamine Family
Superfamily CFSID1468 Dipeptidyl peptidase 4 Inhibitor (2-chloro-6-phenoxyphenyl)methanamine Superfamily
Class CFCID578 Class 1928
External ID CHEMBL236047 External Source CHEMBL
PubChem CID 24963805 Functional Category Bioactive
Molecule Name AGN-PC-04URWM
IUPAC Name 1-[2-(3,4-dichlorophenoxy)-5-(4-morpholin-4-ylbut-1-ynyl)phenyl]-N-methylmethanamine
Synonyms SureCN2889549;CHEBI:499916;1-[2-(3,4-dichlorophenoxy)-5-(4-morpholin-4-ylbut-1-ynyl)phenyl]-N-methylmethanamine
InChi InChI=1S/C22H24Cl2N2O2/c1-25-16-18-14-17(4-2-3-9-26-10-12-27-13-11-26)5-8-22(18)28-19-6-7-20(23)21(24)15-19/h5-8,14-15,25H,3,9-13,16H2,1H3
InChiKey GTLCRPKCYIDHGJ-UHFFFAOYSA-N
Formula C22H24Cl2N2O2 Molecular Weight 419.34
Cross Link CHEMBL236047
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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