General Information of the Compound
Compound ID
CP0877763
Compound Name
10-(Benzylsulfonyl)-10H-phenoxazine
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Structure
Formula
C19H15NO3S
Molecular Weight
337.4
Canonical SMILES
O=S(=O)(Cc1ccccc1)N1c2ccccc2Oc2ccccc21
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InChI
InChI=1S/C19H15NO3S/c21-24(22,14-15-8-2-1-3-9-15)20-16-10-4-6-12-18(16)23-19-13-7-5-11-17(19)20/h1-13H,14H2
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InChIKey
XULZJKNLZRGHPZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.4604
Rotatable Bonds
3
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: 71453815
SID: 163505962
ChEMBL ID
CHEMBL2180161
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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   LI
   LO
   TS