General Information of the Compound
Compound ID
CP0438319
Compound Name
5-ethylsulfonylquinolin-8-ol
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Structure
Formula
C11H11NO3S
Molecular Weight
237.28
Canonical SMILES
CCS(=O)(=O)c1ccc(O)c2ncccc12
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InChI
InChI=1S/C11H11NO3S/c1-2-16(14,15)10-6-5-9(13)11-8(10)4-3-7-12-11/h3-7,13H,2H2,1H3
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InChIKey
ZVIWFUADCRHDPT-UHFFFAOYSA-N
Physicochemical Property
logP
1.734
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
67.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 122441954
ChEMBL ID
CHEMBL4162990
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: PT03627, Catechol O-methyltransferase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 50.12 nM
   TI
   LI
   LO
   TS
CL000154 HEK293-EBNA1-6E Homo sapiens (Human)  1
1
IC50 = 1584.89 nM
   TI
   LI
   LO
   TS