General Information of the Compound
Compound ID
CP0662708
Compound Name
N-(1,3-benzothiazol-2-yl)-2-methoxybenzamide
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Structure
Formula
C15H12N2O2S
Molecular Weight
284.34
Canonical SMILES
COc1ccccc1C(=O)Nc1nc2ccccc2s1
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InChI
InChI=1S/C15H12N2O2S/c1-19-12-8-4-2-6-10(12)14(18)17-15-16-11-7-3-5-9-13(11)20-15/h2-9H,1H3,(H,16,17,18)
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InChIKey
UPIAKWZLXTWRNR-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: 708625
SID: 14848885
ChEMBL ID
CHEMBL1524929
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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080 Homo sapiens (Human)  1
1
Potency ~ 25929 nM
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   TS
Protein ID: PT06124, Paired box protein Pax-8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000097 RMG-I Homo sapiens (Human)  1
1
AC50 = 3690 nM
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   LI
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   TS