CFam Chemical Families Database
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You are searching for "CFAMM00419248" in compound.

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CFAM Mol ID CFAMM00419248
Family CFFBM12947 Sodium-dependent serotonin transporter and Histamine H3 receptor ligand AGN-PC-04US5U family
Superfamily CFSID2838 Enoyl-[acyl-carrier-protein] reductase [NADH] FabI Inhibitor 2-(2-((benzylamino)methyl)phenoxy)-5-chlorophenol Superfamily
Class CFCID1684 Class 3034
External ID CHEMBL397577 External Source CHEMBL
PubChem CID 24965237 Functional Category Bioactive
Molecule Name AGN-PC-04USYU
IUPAC Name 1-[2-(2-chloro-4-fluorophenoxy)-5-(4-morpholin-4-ylbut-1-ynyl)phenyl]-N-methylmethanamine
Synonyms SureCN2880644;CHEBI:499934;1-[2-(2-chloro-4-fluorophenoxy)-5-(4-morpholin-4-ylbut-1-ynyl)phenyl]-N-methylmethanamine
InChi InChI=1S/C22H24ClFN2O2/c1-25-16-18-14-17(4-2-3-9-26-10-12-27-13-11-26)5-7-21(18)28-22-8-6-19(24)15-20(22)23/h5-8,14-15,25H,3,9-13,16H2,1H3
InChiKey DUKRHXPXPYNWKN-UHFFFAOYSA-N
Formula C22H24ClFN2O2 Molecular Weight 402.89
Cross Link CHEMBL397577
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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