General Information of the Compound
Compound ID
CP0387945
Compound Name
benzyl phenoxazine-10-carboxylate
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Structure
Formula
C20H15NO3
Molecular Weight
317.344
Canonical SMILES
O=C(OCc1ccccc1)N1c2ccccc2Oc2ccccc12
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InChI
InChI=1S/C20H15NO3/c22-20(23-14-15-8-2-1-3-9-15)21-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)21/h1-13H,14H2
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InChIKey
KGVCOYMLGBNCDW-UHFFFAOYSA-N
Physicochemical Property
logP
5.2672
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
38.77
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 60168729
SID: 144117896
ChEMBL ID
CHEMBL2180137
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 = 189 nM
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