General Information of the Compound
Compound ID
CP0420965
Compound Name
N-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide
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Structure
Formula
C14H12N2O3S2
Molecular Weight
320.395
Canonical SMILES
COc1ccc2nc(NS(=O)(=O)c3ccccc3)sc2c1
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InChI
InChI=1S/C14H12N2O3S2/c1-19-10-7-8-12-13(9-10)20-14(15-12)16-21(17,18)11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16)
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InChIKey
WNSZWEWTCZYWFU-UHFFFAOYSA-N
Physicochemical Property
logP
3.1057
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
68.29
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 670284
SID: 56403093
ChEMBL ID
CHEMBL401526
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: PT01587, Stearoyl-CoA desaturase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000401 NCI-H2122 Homo sapiens (Human)  1
1
IC50 > 50000 nM
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