General Information of the Compound
Compound ID
CP0249981
Compound Name
1-phenoxazin-10-ylethanone
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Structure
Formula
C14H11NO2
Molecular Weight
225.247
Canonical SMILES
CC(=O)N1c2ccccc2Oc2ccccc12
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InChI
InChI=1S/C14H11NO2/c1-10(16)15-11-6-2-4-8-13(11)17-14-9-5-3-7-12(14)15/h2-9H,1H3
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InChIKey
MXVOQCUXOQFIHU-UHFFFAOYSA-N
Physicochemical Property
logP
3.4769
Rotatable Bonds
0
Heavy Atom Count
17
Polar Areas
29.54
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 3304561
ChEMBL ID
CHEMBL2180182
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
   TI
   LI
   LO
   TS