General Information of the Compound
Compound ID
CP0402983
Compound Name
10-(4-methylphenyl)sulfonylphenoxazine
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Structure
Formula
C19H15NO3S
Molecular Weight
337.4
Canonical SMILES
Cc1ccc(cc1)S(=O)(=O)N1c2ccccc2Oc2ccccc12
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InChI
InChI=1S/C19H15NO3S/c1-14-10-12-15(13-11-14)24(21,22)20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13H,1H3
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InChIKey
DHZNMEIBMACSFH-UHFFFAOYSA-N
Physicochemical Property
logP
4.62772
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
46.61
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 2320735
SID: 163542076
ChEMBL ID
CHEMBL2180160
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 = 1380 nM
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