General Information of the Compound
Compound ID
CP0542496
Compound Name
6-(7-hydroxyheptylamino)-1H-pyrimidine-2,4-dione
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Structure
Formula
C11H19N3O3
Molecular Weight
241.291
Canonical SMILES
OCCCCCCCNc1cc(=O)[nH]c(=O)[nH]1
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InChI
InChI=1S/C11H19N3O3/c15-7-5-3-1-2-4-6-12-9-8-10(16)14-11(17)13-9/h8,15H,1-7H2,(H3,12,13,14,16,17)
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InChIKey
PNVYQPUBQRZQPX-UHFFFAOYSA-N
Physicochemical Property
logP
0.4179
Rotatable Bonds
8
Heavy Atom Count
17
Polar Areas
97.98
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Complexity
17

"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: 146025742
ChEMBL ID
CHEMBL4455292
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 = 267 nM
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