General Information of the Compound
Compound ID
CP0564812
Compound Name
2,6-dimethoxy-4-(1,3-thiazol-2-yl)phenol
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Structure
Formula
C11H11NO3S
Molecular Weight
237.28
Canonical SMILES
COc1cc(cc(OC)c1O)-c1nccs1
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InChI
InChI=1S/C11H11NO3S/c1-14-8-5-7(11-12-3-4-16-11)6-9(15-2)10(8)13/h3-6,13H,1-2H3
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InChIKey
LOHMELIDFNBGAI-UHFFFAOYSA-N
Physicochemical Property
logP
2.5329
Rotatable Bonds
3
Heavy Atom Count
16
Polar Areas
51.58
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 155552105
ChEMBL ID
CHEMBL4575266
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: PT06318, Sphingomyelin phosphodiesterase 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 20000 nM
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