General Information of the Compound
Compound ID
CP0864235
Compound Name
benzo[d]oxazol-6-ol
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Structure
Formula
C7H5NO2
Molecular Weight
135.122
Canonical SMILES
Oc1ccc2ncoc2c1
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InChI
InChI=1S/C7H5NO2/c9-5-1-2-6-7(3-5)10-4-8-6/h1-4,9H
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InChIKey
SAHAKBXWZLDNAA-UHFFFAOYSA-N
Physicochemical Property
logP
1.5334
Rotatable Bonds
0
Heavy Atom Count
10
Polar Areas
46.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
10

"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: 11693915
SID: 16798263
ChEMBL ID
CHEMBL4555091
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: PT04359, Sulfotransferase 1A1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Km = 5500 nM
   TI
   LI
   LO
   TS
Protein ID: PT02668, Sulfotransferase 1E1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Km = 525000 nM
   TI
   LI
   LO
   TS