CFam Chemical Families Database
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You are searching for "CFAMM00301556" 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 CFAMM00301556
Family CFFID4036 Sodium-dependent dopamine transporter Inhibitor (+/-)-threo-n-(2-methylpyridine)methylphenidate Family
Superfamily CFSID2736 Sodium-dependent dopamine transporter Inhibitor (+/-)-threo-n-(2-methylpyridine)methylphenidate Superfamily
Class CFCCD314 Class 1127
External ID CHEMBL372121 External Source CHEMBL
PubChem CID 10131913 Functional Category Bioactive
Molecule Name methyl 8-methyl-3-(4-pyrimidin-5-ylphenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate
IUPAC Name methyl 8-methyl-3-(4-pyrimidin-5-ylphenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate
Synonyms CHEBI:434558
InChi InChI=1S/C20H23N3O2/c1-23-16-7-8-18(23)19(20(24)25-2)17(9-16)14-5-3-13(4-6-14)15-10-21-12-22-11-15/h3-6,10-12,16-19H,7-9H2,1-2H3
InChiKey RASOLZJESXTKBV-UHFFFAOYSA-N
Formula C20H23N3O2 Molecular Weight 337.42
Cross Link CHEMBL372121
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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