General Information of the Compound
Compound ID
CP0507153
Compound Name
N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]cyclopropanecarboxamide
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Structure
Formula
C17H13F6NO2
Molecular Weight
377.284
Canonical SMILES
OC(c1ccc2ccccc2c1NC(=O)C1CC1)(C(F)(F)F)C(F)(F)F
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InChI
InChI=1S/C17H13F6NO2/c18-16(19,20)15(26,17(21,22)23)12-8-7-9-3-1-2-4-11(9)13(12)24-14(25)10-5-6-10/h1-4,7-8,10,26H,5-6H2,(H,24,25)
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InChIKey
KCAQQXULGXEZEX-UHFFFAOYSA-N
Physicochemical Property
logP
4.5005
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
49.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
26

"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: 10362210
SID: 15375545
ChEMBL ID
CHEMBL296840
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 = 751 nM
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