CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00006217" 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 CFAMM00006217
Family CFFAD23 Sodium-dependent dopamine transporter inhibitor substituted phenethylamine derivative Methylphenidate family
Superfamily CFSAD23 Sodium-dependent dopamine transporter inhibitor substituted phenethylamine derivative Methylphenidate Superfamily
Class CFCAD23 Class 23
External ID CHEMBL1173751 External Source CHEMBL
PubChem CID 46855640 Functional Category Bioactive
Molecule Name ethyl (1S,6R)-1-(3,4-dichlorophenyl)-4-azabicyclo[4.1.0]heptane-6-carboxylate
IUPAC Name ethyl (1S,6R)-1-(3,4-dichlorophenyl)-4-azabicyclo[4.1.0]heptane-6-carboxylate
Synonyms
InChi InChI=1S/C15H17Cl2NO2/c1-2-20-13(19)15-8-14(15,5-6-18-9-15)10-3-4-11(16)12(17)7-10/h3-4,7,18H,2,5-6,8-9H2,1H3/t14-,15-/m1/s1
InChiKey OWTIWTHXBDWNDV-HUUCEWRRSA-N
Formula C15H17Cl2NO2 Molecular Weight 314.21
Cross Link CHEMBL1173751
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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