General Information of the Compound
Compound ID
CP0423598
Compound Name
(4-nitrophenyl)-phenoxazin-10-ylmethanone
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Structure
Formula
C19H12N2O4
Molecular Weight
332.315
Canonical SMILES
[O-][N+](=O)c1ccc(cc1)C(=O)N1c2ccccc2Oc2ccccc12
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InChI
InChI=1S/C19H12N2O4/c22-19(13-9-11-14(12-10-13)21(23)24)20-15-5-1-3-7-17(15)25-18-8-4-2-6-16(18)20/h1-12H
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InChIKey
HORYLVQODYGBBZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.679
Rotatable Bonds
2
Heavy Atom Count
25
Polar Areas
72.68
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 13644344
ChEMBL ID
CHEMBL2180184
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 = 4290 nM
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