General Information of the Compound
Compound ID
CP0850980
Compound Name
2-((1H-Pyrazol-4-yl)oxy)pyrido[3,4-d]pyrimidin-4(3H)-one
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Structure
Formula
C10H7N5O2
Molecular Weight
229.199
Canonical SMILES
O=c1[nH]c(Oc2cn[nH]c2)nc2cnccc12
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InChI
InChI=1S/C10H7N5O2/c16-9-7-1-2-11-5-8(7)14-10(15-9)17-6-3-12-13-4-6/h1-5H,(H,12,13)(H,14,15,16)
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InChIKey
MOMKPBKMLHPDGF-UHFFFAOYSA-N
Physicochemical Property
logP
0.8335
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
96.55
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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: 135567124
ChEMBL ID
CHEMBL3770916
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: PT02979, Lysine-specific demethylase 4C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
IC50 = 7943.28 nM
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   LI
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