General Information of the Compound
Compound ID
CP0446125
Compound Name
(4-chlorophenyl)-phenoxazin-10-ylmethanone
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Structure
Formula
C19H12ClNO2
Molecular Weight
321.763
Canonical SMILES
Clc1ccc(cc1)C(=O)N1c2ccccc2Oc2ccccc12
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InChI
InChI=1S/C19H12ClNO2/c20-14-11-9-13(10-12-14)19(22)21-15-5-1-3-7-17(15)23-18-8-4-2-6-16(18)21/h1-12H
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InChIKey
KNOFGZVKVUGVOS-UHFFFAOYSA-N
Physicochemical Property
logP
5.4242
Rotatable Bonds
1
Heavy Atom Count
23
Polar Areas
29.54
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: 71457339
SID: 163505613
ChEMBL ID
CHEMBL2180185
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 = 5290 nM
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