General Information of the Compound
Compound ID
CP0328734
Compound Name
8-pyrazol-1-yl-3H-pyrido[3,4-d]pyrimidin-4-one
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Structure
Formula
C10H7N5O
Molecular Weight
213.2
Canonical SMILES
O=c1[nH]cnc2c(nccc12)-n1cccn1
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InChI
InChI=1S/C10H7N5O/c16-10-7-2-4-11-9(8(7)12-6-13-10)15-5-1-3-14-15/h1-6H,(H,12,13,16)
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InChIKey
ZHUSZSJWZKLCNB-UHFFFAOYSA-N
Physicochemical Property
logP
0.5038
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
76.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
16

"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: 135567114
ChEMBL ID
CHEMBL3774749
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: PT04390, Lysine-specific demethylase 4B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 4600 nM
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