4-arylphthalazin-1(2H)-3,4-Di-F   Click here for help

GtoPdb Ligand ID: 7753

Compound class: Synthetic organic
Comment: This is compound 10n in [1]. It is a potent antagonist of the MCH1 receptor.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 67.23
Molecular weight 516.23
XLogP 5.95
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CC(=O)Nc1cccc(c1)C1CCN(CC1)CCCn1nc(c2ccc(c(c2)F)F)c2c(c1=O)cccc2
Isomeric SMILES CC(=O)Nc1cccc(c1)C1CCN(CC1)CCCn1nc(c2ccc(c(c2)F)F)c2c(c1=O)cccc2
InChI InChI=1S/C30H30F2N4O2/c1-20(37)33-24-7-4-6-22(18-24)21-12-16-35(17-13-21)14-5-15-36-30(38)26-9-3-2-8-25(26)29(34-36)23-10-11-27(31)28(32)19-23/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,33,37)
InChI Key YVVMAGRTTSOPEO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[3-(1-{3-[4-(3,4-difluorophenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]propyl}piperidin-4-yl)phenyl]acetamide
Database Links Click here for help
ChEMBL Ligand CHEMBL1934835
GtoPdb PubChem SID 223366086
PubChem CID 56835134
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