CFam Chemical Families Database
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You are searching for "CFAMM00046951" 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 CFAMM00046951
Family CFFAD293 5-hydroxytryptamine receptor 3A Ligand Palonosetron Family
Superfamily CFSAD258 5-hydroxytryptamine receptor 3A Ligand Palonosetron Superfamily
Class CFCAD246 Class 246
External ID CHEMBL214432 External Source CHEMBL
PubChem CID 44417904 Functional Category Bioactive
Molecule Name N-[(2S)-6-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-fluorophenyl)-N-methylbenzamide
IUPAC Name N-[(2S)-6-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-fluorophenyl)-N-methylbenzamide
Synonyms CHEBI:463230
InChi InChI=1S/C30H34FN3O2/c1-32(2)29(35)20-33(3)19-21-5-6-26-18-28(16-13-25(26)17-21)34(4)30(36)24-9-7-22(8-10-24)23-11-14-27(31)15-12-23/h5-12,14-15,17,28H,13,16,18-20H2,1-4H3/t28-/m0/s1
InChiKey JWTBNTCDSNQIDW-NDEPHWFRSA-N
Formula C30H34FN3O2 Molecular Weight 487.61
Cross Link CHEMBL214432
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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