General Information of the Compound
Compound ID
CP0559201
Compound Name
N-[2-[4-(3,5-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylphenoxy]pyridin-3-yl]acetamide
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Structure
Formula
C20H20N4O4
Molecular Weight
380.404
Canonical SMILES
CC(=O)Nc1cccnc1Oc1ccc(c(C)c1)-c1c(C)c(=O)[nH]c(=O)n1C
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InChI
InChI=1S/C20H20N4O4/c1-11-10-14(28-19-16(22-13(3)25)6-5-9-21-19)7-8-15(11)17-12(2)18(26)23-20(27)24(17)4/h5-10H,1-4H3,(H,22,25)(H,23,26,27)
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InChIKey
NPFFSFQKFLOPLF-UHFFFAOYSA-N
Physicochemical Property
logP
2.50314
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
106.08
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
28

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 155534541
ChEMBL ID
CHEMBL4470808
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01195, D(1A) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 610 nM
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