General Information of the Compound
Compound ID
CP0532065
Compound Name
N-(1,3-benzothiazol-2-yl)-4-methoxybenzamide
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Structure
Formula
C15H12N2O2S
Molecular Weight
284.34
Canonical SMILES
COc1ccc(cc1)C(=O)Nc1nc2ccccc2s1
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InChI
InChI=1S/C15H12N2O2S/c1-19-11-8-6-10(7-9-11)14(18)17-15-16-12-4-2-3-5-13(12)20-15/h2-9H,1H3,(H,16,17,18)
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InChIKey
FTKQRUKADZDJIM-UHFFFAOYSA-N
Physicochemical Property
logP
3.5572
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
51.22
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 675912
SID: 15022248
ChEMBL ID
CHEMBL1529450
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 = 2600 nM
   TI
   LI
   LO
   TS
CL000962 NCI-H2009 Homo sapiens (Human)  1
1
IC50 = 31000 nM
   TI
   LI
   LO
   TS