General Information of the Compound
Compound ID
CP0558031
Compound Name
2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-(4-methoxyphenyl)-4,5-dihydroimidazole
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Structure
Formula
C19H20N4O
Molecular Weight
320.396
Canonical SMILES
COc1ccc(cc1)N1CCN=C1c1ccc(cc1)C1=NCCN1
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InChI
InChI=1S/C19H20N4O/c1-24-17-8-6-16(7-9-17)23-13-12-22-19(23)15-4-2-14(3-5-15)18-20-10-11-21-18/h2-9H,10-13H2,1H3,(H,20,21)
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InChIKey
PVVVEYCMQCIFES-UHFFFAOYSA-N
Physicochemical Property
logP
2.3118
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
49.22
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 155564673
ChEMBL ID
CHEMBL4577800
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 = 44000 nM
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