General Information of the Compound
Compound ID
CP0486081
Compound Name
2-methoxy-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol
    Show/Hide
Structure
Formula
C20H16N2O2S
Molecular Weight
348.427
Canonical SMILES
COc1cc(ccc1O)-c1nc(c([nH]1)-c1cccs1)-c1ccccc1
    Show/Hide
InChI
InChI=1S/C20H16N2O2S/c1-24-16-12-14(9-10-15(16)23)20-21-18(13-6-3-2-4-7-13)19(22-20)17-8-5-11-25-17/h2-12,23H,1H3,(H,21,22)
    Show/Hide
InChIKey
XRWLAODNIMTCMO-UHFFFAOYSA-N
Physicochemical Property
logP
5.1864
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
58.14
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
25

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 155556735
ChEMBL ID
CHEMBL4556374
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 = 320 nM
   TI
   LI
   LO
   TS