General Information of the Compound
Compound ID
CP0014180
Compound Name
2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-6-(1,2-oxazol-5-ylmethyl)-7,8-dihydro-1,6-naphthyridin-5-one
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Structure
Formula
C23H19FN4O4
Molecular Weight
434.427
Canonical SMILES
Cc1onc(c1COc1ccc2C(=O)N(Cc3ccno3)CCc2n1)-c1ccc(F)cc1
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InChI
InChI=1S/C23H19FN4O4/c1-14-19(22(27-31-14)15-2-4-16(24)5-3-15)13-30-21-7-6-18-20(26-21)9-11-28(23(18)29)12-17-8-10-25-32-17/h2-8,10H,9,11-13H2,1H3
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InChIKey
MZDDWNYMFDVWOJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.94962
Rotatable Bonds
6
Heavy Atom Count
32
Polar Areas
94.49
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
32

"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: 168272156
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 = 2500 nM
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