General Information of the Compound
Compound ID
CP0484585
Compound Name
6-[hexyl(methyl)amino]-1H-pyrimidine-2,4-dione
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Structure
Formula
C11H19N3O2
Molecular Weight
225.292
Canonical SMILES
CCCCCCN(C)c1cc(=O)[nH]c(=O)[nH]1
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InChI
InChI=1S/C11H19N3O2/c1-3-4-5-6-7-14(2)9-8-10(15)13-11(16)12-9/h8H,3-7H2,1-2H3,(H2,12,13,15,16)
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InChIKey
BWZLNBMQELZRRW-UHFFFAOYSA-N
Physicochemical Property
logP
1.0797
Rotatable Bonds
6
Heavy Atom Count
16
Polar Areas
68.96
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
16

"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: 146025744
ChEMBL ID
CHEMBL4451909
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: PT04383, G-protein coupled receptor 84
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 6.94 nM
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