General Information of the Compound
Compound ID
CP0422194
Compound Name
6-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
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Structure
Formula
C23H19FN6O
Molecular Weight
414.444
Canonical SMILES
Fc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1
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InChI
InChI=1S/C23H19FN6O/c24-18-5-2-16(3-6-18)17-4-7-21-19(12-17)22(20(13-27-21)23-29-28-15-31-23)26-8-1-10-30-11-9-25-14-30/h2-7,9,11-15H,1,8,10H2,(H,26,27)
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InChIKey
JMFOSONLGCNPCG-UHFFFAOYSA-N
Physicochemical Property
logP
4.7896
Rotatable Bonds
7
Heavy Atom Count
31
Polar Areas
81.66
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
31

"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: 153370118
ChEMBL ID
CHEMBL4471822
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: PT01170, DNA topoisomerase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 10000 nM
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