General Information of the Compound
Compound ID
CP0012684
Compound Name
2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-6-methyl-7,8-dihydro-1,6-naphthyridin-5-one
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Structure
Formula
C20H18FN3O3
Molecular Weight
367.38
Canonical SMILES
CN1CCc2nc(OCc3c(C)onc3-c3ccc(F)cc3)ccc2C1=O
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InChI
InChI=1S/C20H18FN3O3/c1-12-16(19(23-27-12)13-3-5-14(21)6-4-13)11-26-18-8-7-15-17(22-18)9-10-24(2)20(15)25/h3-8H,9-11H2,1-2H3
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InChIKey
QZJAEUOFNKKIJN-UHFFFAOYSA-N
Physicochemical Property
logP
3.39122
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
68.46
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 168296567
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: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 3800 nM
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