CFam Chemical Families Database
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You are searching for "CFAMM00441962" in compound.

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CFAM Mol ID CFAMM00441962
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 CHEMBL516933 External Source CHEMBL
PubChem CID 44588222 Functional Category Bioactive
Molecule Name 2-(4-amino-3,5-dibromophenyl)ethyl (1R,3S,4S,5R)-3-(4-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate;hydrochloride
IUPAC Name 2-(4-amino-3,5-dibromophenyl)ethyl (1R,3S,4S,5R)-3-(4-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate;hydrochloride
Synonyms CHEBI:613079
InChi InChI=1S/C24H28Br2N2O3.ClH/c1-28-16-5-8-21(28)22(18(13-16)15-3-6-17(30-2)7-4-15)24(29)31-10-9-14-11-19(25)23(27)20(26)12-14;/h3-4,6-7,11-12,16,18,21-22H,5,8-10,13,27H2,1-2H3;1H/t16-,18-,21-,22+;/m1./s1
InChiKey CTNIUTSUTZHULD-JRTRGBLZSA-N
Formula C24H29Br2ClN2O3 Molecular Weight 588.76
Cross Link CHEMBL516933
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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Professor in Department of Pharmacy
National University of Singapore, Singapore


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