General Information of the Compound
Compound ID
CP0484122
Compound Name
N-hexyl-3-methyl-2,4-dioxopyrimidine-1-carboxamide
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Structure
Formula
C12H19N3O3
Molecular Weight
253.302
Canonical SMILES
CCCCCCNC(=O)n1ccc(=O)n(C)c1=O
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InChI
InChI=1S/C12H19N3O3/c1-3-4-5-6-8-13-11(17)15-9-7-10(16)14(2)12(15)18/h7,9H,3-6,8H2,1-2H3,(H,13,17)
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InChIKey
ZKUUTUUOFDGQTD-UHFFFAOYSA-N
Physicochemical Property
logP
0.685
Rotatable Bonds
5
Heavy Atom Count
18
Polar Areas
73.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 71654967
ChEMBL ID
CHEMBL2333049
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: PT03047, Acid ceramidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 53 nM
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