General Information of the Compound
Compound ID
CP0439702
Compound Name
8-(4-fluoro-2-methylphenoxy)-2-morpholin-4-yl-1H-quinolin-4-one
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Structure
Formula
C20H19FN2O3
Molecular Weight
354.381
Canonical SMILES
Cc1cc(F)ccc1Oc1cccc2c(O)cc(nc12)N1CCOCC1
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InChI
InChI=1S/C20H19FN2O3/c1-13-11-14(21)5-6-17(13)26-18-4-2-3-15-16(24)12-19(22-20(15)18)23-7-9-25-10-8-23/h2-6,11-12H,7-10H2,1H3,(H,22,24)
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InChIKey
FZTZVNFKDPBYKA-UHFFFAOYSA-N
Physicochemical Property
logP
4.01682
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
54.82
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 16757579
SID: 26746660
ChEMBL ID
CHEMBL2064327
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: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 10000 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
CL000146 S21 Mus musculus (Mouse)  1
1
IC50 = 32 nM
   TI
   LI
   LO
   TS
CL000048 PC-3 Homo sapiens (Human)  1
1
IC50 = 72 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
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 166 nM
   TI
   LI
   LO
   TS
Protein ID: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 18150 nM