General Information of the Compound
Compound ID
CP0526190
Compound Name
4-chloro-N-(4-oxo-4H-benzo[d][1,3]thiazin-2-yl)benzamide
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Structure
Formula
C15H9ClN2O2S
Molecular Weight
316.769
Canonical SMILES
Clc1ccc(cc1)C(=O)Nc1nc2ccccc2c(=O)s1
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InChI
InChI=1S/C15H9ClN2O2S/c16-10-7-5-9(6-8-10)13(19)18-15-17-12-4-2-1-3-11(12)14(20)21-15/h1-8H,(H,17,18,19)
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InChIKey
ZIBHMKPBIFNDIC-UHFFFAOYSA-N
Physicochemical Property
logP
3.5622
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
59.06
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 2810144
ChEMBL ID
CHEMBL516039
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: PT03909, 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 2000 nM
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