General Information of the Compound
Compound ID
CP0466718
Compound Name
2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-phenyl-4,5-dihydroimidazole
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Structure
Formula
C18H18N4
Molecular Weight
290.37
Canonical SMILES
C1CN=C(N1)c1ccc(cc1)C1=NCCN1c1ccccc1
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InChI
InChI=1S/C18H18N4/c1-2-4-16(5-3-1)22-13-12-21-18(22)15-8-6-14(7-9-15)17-19-10-11-20-17/h1-9H,10-13H2,(H,19,20)
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InChIKey
XQQMVGLXLIDNJJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.3032
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
39.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 155554354
ChEMBL ID
CHEMBL4557295
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 = 30000 nM
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