General Information of the Compound
Compound ID
CP0499567
Compound Name
2-Methoxy-10H-phenothiazine
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Structure
Formula
C13H11NOS
Molecular Weight
229.304
Canonical SMILES
COc1ccc2Sc3ccccc3Nc2c1
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InChI
InChI=1S/C13H11NOS/c1-15-9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)16-13/h2-8,14H,1H3
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InChIKey
DLYKFPHPBCTAKD-UHFFFAOYSA-N
CAS
1771-18-2
Physicochemical Property
logP
3.9034
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
21.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
16

"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: 74490
SID: 15220645
ChEMBL ID
CHEMBL64404
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: PT01743, Polyunsaturated fatty acid 5-lipoxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000194 RBL-1 Rattus norvegicus (Rat)  1
1
IC50 = 20 nM
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