CFam Chemical Families Database
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You are searching for "CFAMM00301501" in compound.

Total 1 results found.

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 CFAMM00301501
Family CFFID4035 Sodium-dependent dopamine transporter Inhibitor (+/-)-threo-n-(4-methoxybenzyl)methylphenidate Family
Superfamily CFSID2735 Sodium-dependent dopamine transporter Inhibitor (+/-)-threo-n-(4-methoxybenzyl)methylphenidate Superfamily
Class CFCID1623 Class 2973
External ID CHEMBL458282 External Source CHEMBL
PubChem CID 44588000 Functional Category Bioactive
Molecule Name methyl (1R,3S,4S,5R)-3-(3,5-dibromo-4-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate;hydrochloride
IUPAC Name methyl (1R,3S,4S,5R)-3-(3,5-dibromo-4-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate;hydrochloride
Synonyms CHEBI:612542
InChi InChI=1S/C17H21Br2NO3.ClH/c1-20-10-4-5-14(20)15(17(21)23-3)11(8-10)9-6-12(18)16(22-2)13(19)7-9;/h6-7,10-11,14-15H,4-5,8H2,1-3H3;1H/t10-,11-,14-,15+;/m1./s1
InChiKey GPDDTDCIQUPUIA-MKRRPMGHSA-N
Formula C17H22Br2ClNO3 Molecular Weight 483.62
Cross Link CHEMBL458282
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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