CFam Chemical Families Database
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You are searching for "CFAMM00441961" in compound.

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CFAM Mol ID CFAMM00441961
Family CFFBM17345 Sodium-dependent dopamine transporter and Sodium-dependent serotonin transporter inhibitor 2-(4-aminophenyl)ethyl (1R,3S,4S,5R)-3-(4-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate;hydrochloride family
Superfamily CFSBM7049 Sodium-dependent dopamine transporter and Sodium-dependent serotonin transporter Binder Superfamily 16
Class CFCID1557 Class 2907
External ID CHEMBL458080 External Source CHEMBL
PubChem CID 44588192 Functional Category Bioactive
Molecule Name 2-(4-aminophenyl)ethyl (1R,3S,4S,5R)-3-(4-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate;hydrochloride
IUPAC Name 2-(4-aminophenyl)ethyl (1R,3S,4S,5R)-3-(4-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate;hydrochloride
Synonyms CHEBI:613014
InChi InChI=1S/C24H30N2O3.ClH/c1-26-19-9-12-22(26)23(21(15-19)17-5-10-20(28-2)11-6-17)24(27)29-14-13-16-3-7-18(25)8-4-16;/h3-8,10-11,19,21-23H,9,12-15,25H2,1-2H3;1H/t19-,21-,22-,23+;/m1./s1
InChiKey BTBAPWWSVZCOSR-DXWGQUKGSA-N
Formula C24H31ClN2O3 Molecular Weight 430.97
Cross Link CHEMBL458080
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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