General Information of the Compound
Compound ID
CP0444494
Compound Name
2-[benzyl(methyl)amino]-1,2-benzothiazol-3-one
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Structure
Formula
C15H14N2OS
Molecular Weight
270.357
Canonical SMILES
CN(Cc1ccccc1)n1sc2ccccc2c1=O
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InChI
InChI=1S/C15H14N2OS/c1-16(11-12-7-3-2-4-8-12)17-15(18)13-9-5-6-10-14(13)19-17/h2-10H,11H2,1H3
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InChIKey
QDSSTVQXSUUFND-UHFFFAOYSA-N
Physicochemical Property
logP
2.831
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
25.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 155539436
ChEMBL ID
CHEMBL4514686
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: PT02467, Monoglyceride lipase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 189.4 nM
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