General Information of the Compound
Compound ID
CP0423708
Compound Name
3-[2-[4-(1-pyridin-3-yl-4,5-dihydroimidazol-2-yl)phenyl]-4,5-dihydroimidazol-1-yl]pyridine
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Structure
Formula
C22H20N6
Molecular Weight
368.444
Canonical SMILES
C1CN(C(=N1)c1ccc(cc1)C1=NCCN1c1cccnc1)c1cccnc1
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InChI
InChI=1S/C22H20N6/c1-3-19(15-23-9-1)27-13-11-25-21(27)17-5-7-18(8-6-17)22-26-12-14-28(22)20-4-2-10-24-16-20/h1-10,15-16H,11-14H2
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InChIKey
PYHIFWMOMSHJKZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.0102
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
56.98
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
28

"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: 155533612
ChEMBL ID
CHEMBL4469214
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 = 68000 nM
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