General Information of the Compound
Compound ID
CP0909403
Compound Name
N,N-diethyl-5-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazole-4-carboxamide
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Structure
Formula
C14H19N5O2
Molecular Weight
289.339
Canonical SMILES
CCN(CC)C(=O)c1cnn(-c2nc(C)cc(=O)[nH]2)c1C
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InChI
InChI=1S/C14H19N5O2/c1-5-18(6-2)13(21)11-8-15-19(10(11)4)14-16-9(3)7-12(20)17-14/h7-8H,5-6H2,1-4H3,(H,16,17,20)
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InChIKey
OKQHEISUJBGZGK-UHFFFAOYSA-N
Physicochemical Property
logP
1.05444
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
83.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
21

"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: 137049219
ChEMBL ID
CHEMBL4519987
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: PT03734, Sepiapterin reductase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000151 SK-N-BE(2) Homo sapiens (Human)  1
1
IC50 = 6400 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 10 nM