General Information of the Compound
Compound ID
CP0470799
Compound Name
6-(4-methoxyphenyl)-N-methyl-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
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Structure
Formula
C19H16N4O2
Molecular Weight
332.363
Canonical SMILES
CNc1c(cnc2ccc(cc12)-c1ccc(OC)cc1)-c1nnco1
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InChI
InChI=1S/C19H16N4O2/c1-20-18-15-9-13(12-3-6-14(24-2)7-4-12)5-8-17(15)21-10-16(18)19-23-22-11-25-19/h3-11H,1-2H3,(H,20,21)
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InChIKey
MEZTZYRUYLQNMQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.0021
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
73.07
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
25

"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: 148471279
ChEMBL ID
CHEMBL4531237
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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   LI
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