General Information of the Compound
Compound ID
CP0380906
Compound Name
N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-1,3-oxazole-5-carboxamide
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Structure
Formula
C17H10F6N2O3
Molecular Weight
404.266
Canonical SMILES
OC(c1ccc2ccccc2c1NC(=O)c1cnco1)(C(F)(F)F)C(F)(F)F
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InChI
InChI=1S/C17H10F6N2O3/c18-16(19,20)15(27,17(21,22)23)11-6-5-9-3-1-2-4-10(9)13(11)25-14(26)12-7-24-8-28-12/h1-8,27H,(H,25,26)
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InChIKey
ZLLRSPYUTRWAPN-UHFFFAOYSA-N
Physicochemical Property
logP
4.3923
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
75.36
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 44293670
ChEMBL ID
CHEMBL48797
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: PT06097, ATP-sensitive inward rectifier potassium channel 11
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000041 LTK- Mus musculus (Mouse)  1
1
EC50 = 24 nM
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