CFam Chemical Families Database
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You are searching for "CFAMM00404063" in compound.

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CFAM Mol ID CFAMM00404063
Family CFFBM10738 Melanocortin receptor 4 ligand 2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluoro-N-[N'-(4-piperidin-1-ylbutyl)carbamimidoyl]benzamide family
Superfamily CFSAD227 D(2) dopamine receptor Ligand Remoxipride Superfamily
Class CFCAD35 Class 35
External ID CHEMBL205214 External Source CHEMBL
PubChem CID 44410046 Functional Category Bioactive
Molecule Name 2-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-[N'-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]carbamimidoyl]-3-fluorobenzamide
IUPAC Name 2-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-[N'-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]carbamimidoyl]-3-fluorobenzamide
Synonyms AGN-PC-07614E;CHEBI:444433;2-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-[N'-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]carbamimidoyl]-3-fluorobenzamide
InChi InChI=1S/C30H34BrFN4O2/c1-38-28-14-12-24(31)19-22(28)11-13-25-26(9-6-10-27(25)32)29(37)35-30(33)34-16-4-5-17-36-18-15-21-7-2-3-8-23(21)20-36/h2-3,6-10,12,14,19H,4-5,11,13,15-18,20H2,1H3,(H3,33,34,35,37)
InChiKey PGMHROCZQVZYBR-UHFFFAOYSA-N
Formula C30H34BrFN4O2 Molecular Weight 581.52
Cross Link CHEMBL205214
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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