General Information of the Compound
Compound ID
CP0423607
Compound Name
N,N-diethylphenoxazine-10-carboxamide
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Structure
Formula
C17H18N2O2
Molecular Weight
282.343
Canonical SMILES
CCN(CC)C(=O)N1c2ccccc2Oc2ccccc12
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InChI
InChI=1S/C17H18N2O2/c1-3-18(4-2)17(20)19-13-9-5-7-11-15(13)21-16-12-8-6-10-14(16)19/h5-12H,3-4H2,1-2H3
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InChIKey
OONUCPJJTKHUPD-UHFFFAOYSA-N
Physicochemical Property
logP
4.3922
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
32.78
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 71455550
SID: 163505617
ChEMBL ID
CHEMBL2180173
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 = 17400 nM
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