General Information of the Compound
Compound ID
CP0206698
Compound Name
2,6-difluoro-4-[4-(4-hydroxyphenyl)pyridin-3-yl]phenol
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Structure
Formula
C17H11F2NO2
Molecular Weight
299.276
Canonical SMILES
Oc1ccc(cc1)-c1ccncc1-c1cc(F)c(O)c(F)c1
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InChI
InChI=1S/C17H11F2NO2/c18-15-7-11(8-16(19)17(15)22)14-9-20-6-5-13(14)10-1-3-12(21)4-2-10/h1-9,21-22H
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InChIKey
VTDTXABIZXUXME-UHFFFAOYSA-N
Physicochemical Property
logP
4.105
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
53.35
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 137125250
ChEMBL ID
CHEMBL3604777
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 = 6400 nM
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