General Information of the Compound
Compound ID
CP0482359
Compound Name
2-cyclohexyl-1,2-benzothiazol-3-one
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Structure
Formula
C13H15NOS
Molecular Weight
233.336
Canonical SMILES
O=c1n(sc2ccccc12)C1CCCCC1
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InChI
InChI=1S/C13H15NOS/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2
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InChIKey
KKUXIXMLNAPJIV-UHFFFAOYSA-N
Physicochemical Property
logP
3.5682
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
22
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
16

"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: 10889823
SID: 15936848
ChEMBL ID
CHEMBL3219170
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 = 55.5 nM
   TI
   LI
   LO
   TS