CFam Chemical Families Database
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You are searching for "CFAMM00436890" in compound.

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CFAM Mol ID CFAMM00436890
Family CFFBM16069 Substance-P receptor ligand SureCN9054944 family
Superfamily CFSAD451 ABC transporter inhibitor Benzquinamide, amine transporter inhibitor Tetrabenazine Superfamily
Class CFCAD92 Class 92
External ID CHEMBL344378 External Source CHEMBL
PubChem CID 44358672 Functional Category Bioactive
Molecule Name SureCN9054944
IUPAC Name N-[2-(1,3-benzodioxol-4-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-2-(2-bromophenyl)-N-methylacetamide
Synonyms AGN-PC-075NT1;CHEBI:329351;N-[2-(1,3-benzodioxol-4-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-2-(2-bromophenyl)-N-methylacetamide
InChi InChI=1S/C28H36BrN3O3/c1-30(27(33)18-21-8-3-4-10-24(21)29)19-25(23-9-7-11-26-28(23)35-20-34-26)32-16-12-22(13-17-32)31-14-5-2-6-15-31/h3-4,7-11,22,25H,2,5-6,12-20H2,1H3
InChiKey BZGHFPLJOCCYIG-UHFFFAOYSA-N
Formula C28H36BrN3O3 Molecular Weight 542.51
Cross Link CHEMBL344378
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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