General Information of the Compound
Compound ID
CP0438845
Compound Name
1-(4-methoxyphenyl)-2-[4-[1-(4-methoxyphenyl)-4,5-dihydroimidazol-2-yl]phenyl]-4,5-dihydroimidazole
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Structure
Formula
C26H26N4O2
Molecular Weight
426.52
Canonical SMILES
COc1ccc(cc1)N1CCN=C1c1ccc(cc1)C1=NCCN1c1ccc(OC)cc1
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InChI
InChI=1S/C26H26N4O2/c1-31-23-11-7-21(8-12-23)29-17-15-27-25(29)19-3-5-20(6-4-19)26-28-16-18-30(26)22-9-13-24(32-2)14-10-22/h3-14H,15-18H2,1-2H3
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InChIKey
HSZFDPVGCCEWBV-UHFFFAOYSA-N
Physicochemical Property
logP
4.2374
Rotatable Bonds
6
Heavy Atom Count
32
Polar Areas
49.66
Hydrogen Bond Donor Count
0
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).

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PubChem ID
CID: 155511166
ChEMBL ID
CHEMBL4435640
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: PT01174, Polymerase acidic protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
IC50 = 16000 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
CC50 = 361000 nM
   TI
   LI
   LO
   TS