General Information of the Compound
Compound ID
CP0359026
Compound Name
4-[4-(4-fluorophenyl)-2-phenyl-1H-imidazol-5-yl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine
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Structure
Formula
C28H19FN4
Molecular Weight
430.486
Canonical SMILES
Fc1ccc(cc1)-c1[nH]c(nc1-c1ccnc2[nH]c(cc12)-c1ccccc1)-c1ccccc1
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InChI
InChI=1S/C28H19FN4/c29-21-13-11-19(12-14-21)25-26(33-27(32-25)20-9-5-2-6-10-20)22-15-16-30-28-23(22)17-24(31-28)18-7-3-1-4-8-18/h1-17H,(H,30,31)(H,32,33)
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InChIKey
AZFUYVNWRUXRLD-UHFFFAOYSA-N
Physicochemical Property
logP
7.0931
Rotatable Bonds
4
Heavy Atom Count
33
Polar Areas
57.36
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
33

"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: 71457259
SID: 163493944
ChEMBL ID
CHEMBL2179128
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: PT00922, Epidermal growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 1430 nM
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