General Information of the Compound
Compound ID
CP0888317
Compound Name
2-(Pyridin-3-yloxy)pyrido[3,4-d]pyrimidin-4(3H)-one
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Structure
Formula
C12H8N4O2
Molecular Weight
240.222
Canonical SMILES
O=c1[nH]c(Oc2cccnc2)nc2cnccc12
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InChI
InChI=1S/C12H8N4O2/c17-11-9-3-5-14-7-10(9)15-12(16-11)18-8-2-1-4-13-6-8/h1-7H,(H,15,16,17)
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InChIKey
QNBLKPCPJMVELN-UHFFFAOYSA-N
Physicochemical Property
logP
1.5054
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
80.76
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: 136053687
ChEMBL ID
CHEMBL3770926
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 = 12589.25 nM
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   LI
   LO
   TS