General Information of the Compound
Compound ID
CP0014653
Compound Name
2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-6-(oxolan-3-yl)-7,8-dihydro-1,6-naphthyridin-5-one
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Structure
Formula
C23H22FN3O4
Molecular Weight
423.444
Canonical SMILES
Cc1onc(c1COc1ccc2C(=O)N(CCc2n1)C1CCOC1)-c1ccc(F)cc1
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InChI
InChI=1S/C23H22FN3O4/c1-14-19(22(26-31-14)15-2-4-16(24)5-3-15)13-30-21-7-6-18-20(25-21)8-10-27(23(18)28)17-9-11-29-12-17/h2-7,17H,8-13H2,1H3
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InChIKey
CEORJBCWXRXGHB-UHFFFAOYSA-N
Physicochemical Property
logP
3.55032
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
77.69
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
31

"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: 168276537
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 = 3200 nM
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