General Information of the Compound
Compound ID
CP0497412
Compound Name
2,3-dihydro-1,4-benzoxazin-4-yl(phenyl)methanone
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Structure
Formula
C15H13NO2
Molecular Weight
239.274
Canonical SMILES
O=C(N1CCOc2ccccc12)c1ccccc1
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InChI
InChI=1S/C15H13NO2/c17-15(12-6-2-1-3-7-12)16-10-11-18-14-9-5-4-8-13(14)16/h1-9H,10-11H2
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InChIKey
NEFCBSJRCDKHRX-UHFFFAOYSA-N
Physicochemical Property
logP
2.7258
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
29.54
Hydrogen Bond Donor Count
0
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: 2823798
ChEMBL ID
CHEMBL2180154
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: PT02908, P2X purinoceptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000094 1321N1 Homo sapiens (Human)  1
1
IC50 > 10000 nM
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