General Information of the Compound
Compound ID
CP0866816
Compound Name
3,4-dihydro-2H-naphtho[2,3-b][1,4]thiazine-5,10-dione 1,1-dioxide
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Structure
Formula
C12H9NO4S
Molecular Weight
263.274
Canonical SMILES
O=C1C2=C(C(=O)c3ccccc31)S(=O)(=O)CCN2
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InChI
InChI=1S/C12H9NO4S/c14-10-7-3-1-2-4-8(7)11(15)12-9(10)13-5-6-18(12,16)17/h1-4,13H,5-6H2
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InChIKey
SSICNPWKJXVPBL-UHFFFAOYSA-N
Physicochemical Property
logP
0.2952
Rotatable Bonds
0
Heavy Atom Count
18
Polar Areas
80.31
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
18

"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: 11687576
SID: 16791844
ChEMBL ID
CHEMBL500348
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: PT06969, Dual specificity protein phosphatase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 17800 nM
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   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000072 A2780 Homo sapiens (Human)  1
1
IC50 = 4300 nM
   TI
   LI
   LO
   TS