CFam Chemical Families Database
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You are searching for "CFAMM00393100" 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 CFAMM00393100
Family CFFBM9116 Sodium-dependent dopamine transporter and Sodium-dependent serotonin transporter inhibitor 6-bromo-N-[[(3S,4R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]methyl]pyridin-2-amine family
Superfamily CFSBM4740 Sodium-dependent dopamine transporter and Sodium-dependent serotonin transporter Binder Superfamily 10
Class CFCCD78 Class 891
External ID CHEMBL565023 External Source CHEMBL
PubChem CID 45269464 Functional Category Bioactive
Molecule Name N-[(2S,3S)-2-(3-bromophenyl)-1-(4-chlorophenyl)pentan-3-yl]-6-piperidin-1-ylpyrimidin-4-amine
IUPAC Name N-[(2S,3S)-2-(3-bromophenyl)-1-(4-chlorophenyl)pentan-3-yl]-6-piperidin-1-ylpyrimidin-4-amine
Synonyms CHEBI:659287
InChi InChI=1S/C26H30BrClN4/c1-2-24(31-25-17-26(30-18-29-25)32-13-4-3-5-14-32)23(20-7-6-8-21(27)16-20)15-19-9-11-22(28)12-10-19/h6-12,16-18,23-24H,2-5,13-15H2,1H3,(H,29,30,31)/t23-,24-/m0/s1
InChiKey IUCNSBZVIBUIAX-ZEQRLZLVSA-N
Formula C26H30BrClN4 Molecular Weight 513.90
Cross Link CHEMBL565023
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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