General Information of the Compound
Compound ID
CP0420966
Compound Name
N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
    Show/Hide
Structure
Formula
C15H12N2O2S
Molecular Weight
284.34
Canonical SMILES
COc1ccc2nc(NC(=O)c3ccccc3)sc2c1
    Show/Hide
InChI
InChI=1S/C15H12N2O2S/c1-19-11-7-8-12-13(9-11)20-15(16-12)17-14(18)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17,18)
    Show/Hide
InChIKey
ADVAKZKECLPQAL-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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 835360
SID: 16376540
ChEMBL ID
CHEMBL213306
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
CL000962 NCI-H2009 Homo sapiens (Human)  1
1
IC50 = 21000 nM
   TI
   LI
   LO
   TS
CL000401 NCI-H2122 Homo sapiens (Human)  1
1
IC50 = 54000 nM
   TI
   LI
   LO
   TS