General Information of the Compound
Compound ID
CP0420850
Compound Name
2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-(4-fluorophenyl)-4,5-dihydroimidazole
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Structure
Formula
C18H17FN4
Molecular Weight
308.36
Canonical SMILES
Fc1ccc(cc1)N1CCN=C1c1ccc(cc1)C1=NCCN1
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InChI
InChI=1S/C18H17FN4/c19-15-5-7-16(8-6-15)23-12-11-22-18(23)14-3-1-13(2-4-14)17-20-9-10-21-17/h1-8H,9-12H2,(H,20,21)
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InChIKey
YOMUQESHEVPQPX-UHFFFAOYSA-N
Physicochemical Property
logP
2.4423
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
39.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 155567739
ChEMBL ID
CHEMBL4590080
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 = 65000 nM
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