General Information of the Compound
Compound ID
CP0460960
Compound Name
N-[3-(dimethylamino)propyl]phenoxazine-10-carboxamide
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Structure
Formula
C18H21N3O2
Molecular Weight
311.385
Canonical SMILES
CN(C)CCCNC(=O)N1c2ccccc2Oc2ccccc12
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InChI
InChI=1S/C18H21N3O2/c1-20(2)13-7-12-19-18(22)21-14-8-3-5-10-16(14)23-17-11-6-4-9-15(17)21/h3-6,8-11H,7,12-13H2,1-2H3,(H,19,22)
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InChIKey
ZPYVOVMGXCNHGM-UHFFFAOYSA-N
Physicochemical Property
logP
3.5917
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
44.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 71452010
SID: 163506313
ChEMBL ID
CHEMBL2180166
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 > 10000 nM
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