General Information of the Compound
Compound ID
CP0545298
Compound Name
1-(4-fluorophenyl)-2-[4-[1-(4-fluorophenyl)-4,5-dihydroimidazol-2-yl]phenyl]-4,5-dihydroimidazole
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Structure
Formula
C24H20F2N4
Molecular Weight
402.448
Canonical SMILES
Fc1ccc(cc1)N1CCN=C1c1ccc(cc1)C1=NCCN1c1ccc(F)cc1
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InChI
InChI=1S/C24H20F2N4/c25-19-5-9-21(10-6-19)29-15-13-27-23(29)17-1-2-18(4-3-17)24-28-14-16-30(24)22-11-7-20(26)8-12-22/h1-12H,13-16H2
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InChIKey
ZVJXSQDSCYHJKC-UHFFFAOYSA-N
Physicochemical Property
logP
4.4984
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
31.2
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 155511168
ChEMBL ID
CHEMBL4435642
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 = 12000 nM
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