General Information of the Compound
Compound ID
CP0573115
Compound Name
4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol
    Show/Hide
Structure
Formula
C25H24N2O5
Molecular Weight
432.476
Canonical SMILES
COc1ccc(cc1)-c1nc([nH]c1-c1ccc(OC)cc1)-c1cc(OC)c(O)c(OC)c1
    Show/Hide
InChI
InChI=1S/C25H24N2O5/c1-29-18-9-5-15(6-10-18)22-23(16-7-11-19(30-2)12-8-16)27-25(26-22)17-13-20(31-3)24(28)21(14-17)32-4/h5-14,28H,1-4H3,(H,26,27)
    Show/Hide
InChIKey
PYRDFTNFJDJJSI-UHFFFAOYSA-N
Physicochemical Property
logP
5.1507
Rotatable Bonds
7
Heavy Atom Count
32
Polar Areas
85.83
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
32

"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: 1842049
SID: 14930057
ChEMBL ID
CHEMBL4467223
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 = 20 nM
   TI
   LI
   LO
   TS