CFam Chemical Families Database
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You are searching for "CFAMM00126112" in compound.

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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 CFAMM00126112
Family CFFAD1096 Sodium-dependent dopamine transporter Inhibitor Ioflupane I-123 Family
Superfamily CFSAD920 Sodium-dependent dopamine transporter Inhibitor Ioflupane I-123 Superfamily
Class CFCAD799 Class 799
External ID CHEMBL1944976 External Source CHEMBL
PubChem CID 57391595 Functional Category Bioactive
Molecule Name methyl (1S,3S,4S,5R)-3-(4-butyl-3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
IUPAC Name methyl (1S,3S,4S,5R)-3-(4-butyl-3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
Synonyms
InChi InChI=1S/C20H28INO2/c1-4-5-6-13-7-8-14(11-17(13)21)16-12-15-9-10-18(22(15)2)19(16)20(23)24-3/h7-8,11,15-16,18-19H,4-6,9-10,12H2,1-3H3/t15-,16+,18+,19-/m0/s1
InChiKey FQPIVYZRQDXHIS-ISARSNTHSA-N
Formula C20H28INO2 Molecular Weight 441.35
Cross Link CHEMBL1944976
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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