CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00449928" 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 CFAMM00449928
Family CFFBM18946 Sodium-dependent noradrenaline transporter and Sodium-dependent serotonin transporter inhibitor SureCN4091725 family
Superfamily CFSBM7068 Sodium-dependent noradrenaline transporter and Mineralocorticoid receptor Binder Superfamily
Class CFCCD120 Class 933
External ID CHEMBL598614 External Source CHEMBL
PubChem CID 45140369 Functional Category Bioactive
Molecule Name SureCN4086802
IUPAC Name (1S,2R)-1-(7-fluoro-3,3-dimethyl-2H-indol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol;hydrochloride
Synonyms CHEBI:703498
InChi InChI=1S/C20H24F2N2O.ClH/c1-20(2)12-24(19-15(20)8-5-9-16(19)22)18(17(25)11-23-3)13-6-4-7-14(21)10-13;/h4-10,17-18,23,25H,11-12H2,1-3H3;1H/t17-,18+;/m1./s1
InChiKey QZVQFWATMTZJGK-URBRKQAFSA-N
Formula C20H25ClF2N2O Molecular Weight 382.88
Cross Link CHEMBL598614
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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