General Information of the Compound
Compound ID
CP0199347
Compound Name
7-(2-fluoro-6-methoxyphenyl)-1,3-benzoxazol-2-amine
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Structure
Formula
C14H11FN2O2
Molecular Weight
258.252
Canonical SMILES
COc1cccc(F)c1-c1cccc2nc(N)oc12
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InChI
InChI=1S/C14H11FN2O2/c1-18-11-7-3-5-9(15)12(11)8-4-2-6-10-13(8)19-14(16)17-10/h2-7H,1H3,(H2,16,17)
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InChIKey
ROWPQEPGMKPJNG-UHFFFAOYSA-N
Physicochemical Property
logP
3.2247
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
61.28
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 90645217
ChEMBL ID
CHEMBL3297841
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: PT06683, Ribosomal protein S6 kinase alpha-2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 > 20000 nM
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