General Information of the Compound
Compound ID
CP0839333
Compound Name
N-cyclopentyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazole-3-carboxamide
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Structure
Formula
C14H17N5O2
Molecular Weight
287.323
Canonical SMILES
Cc1cc(=O)[nH]c(-n2ccc(C(=O)NC3CCCC3)n2)n1
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InChI
InChI=1S/C14H17N5O2/c1-9-8-12(20)17-14(15-9)19-7-6-11(18-19)13(21)16-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,16,21)(H,15,17,20)
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InChIKey
DOOQJXMELZCDKG-UHFFFAOYSA-N
Physicochemical Property
logP
0.93642
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
92.67
Hydrogen Bond Donor Count
2
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: 137049042
ChEMBL ID
CHEMBL4570155
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 = 12000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 20 nM