General Information of the Compound
Compound ID
CP0446116
Compound Name
phenoxazin-10-yl(piperidin-1-yl)methanone
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Structure
Formula
C18H18N2O2
Molecular Weight
294.354
Canonical SMILES
O=C(N1CCCCC1)N1c2ccccc2Oc2ccccc12
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InChI
InChI=1S/C18H18N2O2/c21-18(19-12-6-1-7-13-19)20-14-8-2-4-10-16(14)22-17-11-5-3-9-15(17)20/h2-5,8-11H,1,6-7,12-13H2
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InChIKey
HNINKSFKXWRWSY-UHFFFAOYSA-N
Physicochemical Property
logP
4.5363
Rotatable Bonds
0
Heavy Atom Count
22
Polar Areas
32.78
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 71450183
ChEMBL ID
CHEMBL2180177
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 = 10700 nM
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