CFam Chemical Families Database
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You are searching for "CFAMM00301551" 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 CFAMM00301551
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 CHEMBL144323 External Source CHEMBL
PubChem CID 44363345 Functional Category Bioactive
Molecule Name AGN-PC-075Q5O
IUPAC Name ethyl 8-methyl-3-[4-(1-methylpyrrol-2-yl)phenyl]-8-azabicyclo[3.2.1]octane-4-carboxylate
Synonyms CHEBI:341357;ethyl 8-methyl-3-[4-(1-methylpyrrol-2-yl)phenyl]-8-azabicyclo[3.2.1]octane-4-carboxylate
InChi InChI=1S/C22H28N2O2/c1-4-26-22(25)21-18(14-17-11-12-20(21)24(17)3)15-7-9-16(10-8-15)19-6-5-13-23(19)2/h5-10,13,17-18,20-21H,4,11-12,14H2,1-3H3
InChiKey NXORNPDSIJCZRC-UHFFFAOYSA-N
Formula C22H28N2O2 Molecular Weight 352.47
Cross Link CHEMBL144323
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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