General Information of the Compound
Compound ID
CP0433684
Compound Name
6-methoxy-3-(5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl)quinolin-2(1H)-one
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Structure
Formula
C19H15N3O4
Molecular Weight
349.346
Canonical SMILES
COc1cccc(c1)-c1nc(no1)-c1cc2cc(OC)ccc2[nH]c1=O
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InChI
InChI=1S/C19H15N3O4/c1-24-13-5-3-4-11(8-13)19-21-17(22-26-19)15-10-12-9-14(25-2)6-7-16(12)20-18(15)23/h3-10H,1-2H3,(H,20,23)
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InChIKey
GRCKKJCZKMRVEZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.2623
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
90.24
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
26

"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: 946390
SID: 87460692
ChEMBL ID
CHEMBL566046
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 = 900 nM
   TI
   LI
   LO
   TS
Protein ID: PT01033, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 3000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00999, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 900 nM
   TI
   LI
   LO
   TS