CFam Chemical Families Database
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You are searching for "CFAMM00441964" in compound.

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CFAM Mol ID CFAMM00441964
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 CHEMBL459332 External Source CHEMBL
PubChem CID 44588224 Functional Category Bioactive
Molecule Name 2-(4-amino-3-iodophenyl)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-iodophenyl)ethyl (1R,3S,4S,5R)-3-(4-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate;hydrochloride
Synonyms CHEBI:613080
InChi InChI=1S/C24H29IN2O3.ClH/c1-27-17-6-10-22(27)23(19(14-17)16-4-7-18(29-2)8-5-16)24(28)30-12-11-15-3-9-21(26)20(25)13-15;/h3-5,7-9,13,17,19,22-23H,6,10-12,14,26H2,1-2H3;1H/t17-,19-,22-,23+;/m1./s1
InChiKey JVTAHMMQYMBPEN-IYIFBUTFSA-N
Formula C24H30ClIN2O3 Molecular Weight 556.86
Cross Link CHEMBL459332
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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