General Information of the Compound
Compound ID
CP0435936
Compound Name
N,N-dipropylphenoxazine-10-carboxamide
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Structure
Formula
C19H22N2O2
Molecular Weight
310.397
Canonical SMILES
CCCN(CCC)C(=O)N1c2ccccc2Oc2ccccc12
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InChI
InChI=1S/C19H22N2O2/c1-3-13-20(14-4-2)19(22)21-15-9-5-7-11-17(15)23-18-12-8-6-10-16(18)21/h5-12H,3-4,13-14H2,1-2H3
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InChIKey
NRAODVLMMWJCCA-UHFFFAOYSA-N
Physicochemical Property
logP
5.1724
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
32.78
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
23

"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: 71459189
SID: 163506658
ChEMBL ID
CHEMBL2180174
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 = 2690 nM
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