General Information of the Compound
Compound ID
CP0532077
Compound Name
6-(nonylamino)-1H-pyrimidine-2,4-dione
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Structure
Formula
C13H23N3O2
Molecular Weight
253.346
Canonical SMILES
CCCCCCCCCNc1cc(=O)[nH]c(=O)[nH]1
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InChI
InChI=1S/C13H23N3O2/c1-2-3-4-5-6-7-8-9-14-11-10-12(17)16-13(18)15-11/h10H,2-9H2,1H3,(H3,14,15,16,17,18)
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InChIKey
NVTMMIUKDSXCJO-UHFFFAOYSA-N
Physicochemical Property
logP
2.2257
Rotatable Bonds
9
Heavy Atom Count
18
Polar Areas
77.75
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
18

"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: 146025741
ChEMBL ID
CHEMBL4521587
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 = 1.12 nM
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