CFam Chemical Families Database
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You are searching for "CFAMM00053784" in compound.

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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 CFAMM00053784
Family CFFAD371 Sodium channel protein type 5 subunit alpha Ligand Dyclonine Family
Superfamily CFSAD318 Sodium channel protein type 5 subunit alpha Ligand Dyclonine Superfamily
Class CFCAD298 Class 298
External ID DNC001226 External Source TTD
PubChem CID 1949 Functional Category Investigative Drug
Molecule Name Ro48-8071
IUPAC Name (4-bromophenyl)-[2-fluoro-4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]methanone
Synonyms [4-({6-[allyl(methyl)amino]hexyl}oxy)-2-fluorophenyl](4-bromophenyl)methanone;Ro-48-8071;161582-11-2;189197-69-1;R71;R048-8071;1gsz;Methanone, (4-bromophenyl)(2-fluoro-4-((6-(methyl-2-propenylamino)hexyl)oxy)phenyl)-,(2E)-2-butenedioate;Methanone, (4-bromophenyl)[2-fluoro-4-[[6-(methyl-2-propenylamino)hexyl]oxy]phenyl]-,(2E)-2-butenedioate;AC1L1CL5
InChi InChI=1S/C23H27BrFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3
InChiKey CMYCCJYVZIMDFU-UHFFFAOYSA-N
Formula C23H27BrFNO2 Molecular Weight 448.37
Cross Link CHEMBL304858 DB02016
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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