General Information of the Compound
Compound ID
CP0373901
Compound Name
3-(5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl)-6-methylquinolin-2(1H)-one
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Structure
Formula
C19H15N3O3
Molecular Weight
333.347
Canonical SMILES
COc1ccccc1-c1nc(no1)-c1cc2cc(C)ccc2[nH]c1=O
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InChI
InChI=1S/C19H15N3O3/c1-11-7-8-15-12(9-11)10-14(18(23)20-15)17-21-19(25-22-17)13-5-3-4-6-16(13)24-2/h3-10H,1-2H3,(H,20,23)
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InChIKey
CBMJRUKYAXXPEI-UHFFFAOYSA-N
Physicochemical Property
logP
3.56212
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
81.01
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 944746
ChEMBL ID
CHEMBL567914
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: PT03525, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS