General Information of the Compound
Compound ID
CP0361284
Compound Name
2,6-difluoro-4-(4-propan-2-ylpyridin-3-yl)phenol
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Structure
Formula
C14H13F2NO
Molecular Weight
249.26
Canonical SMILES
CC(C)c1ccncc1-c1cc(F)c(O)c(F)c1
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InChI
InChI=1S/C14H13F2NO/c1-8(2)10-3-4-17-7-11(10)9-5-12(15)14(18)13(16)6-9/h3-8,18H,1-2H3
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InChIKey
HRIBPTNPPPEBMO-UHFFFAOYSA-N
Physicochemical Property
logP
3.8558
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
33.12
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 122186018
ChEMBL ID
CHEMBL3604781
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: PT03681, Ribosomal protein S6 kinase alpha-3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
EC50 > 20000 nM
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