General Information of the Compound
Compound ID
CP0397167
Compound Name
3-(2-methoxy-6-phenylpyridin-3-yl)-5-(pyridin-4-yl)-1,2,4-oxadiazole
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Structure
Formula
C19H14N4O2
Molecular Weight
330.347
Canonical SMILES
COc1nc(ccc1-c1noc(n1)-c1ccncc1)-c1ccccc1
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InChI
InChI=1S/C19H14N4O2/c1-24-19-15(7-8-16(21-19)13-5-3-2-4-6-13)17-22-18(25-23-17)14-9-11-20-12-10-14/h2-12H,1H3
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InChIKey
YVLXJJZZRZSKPF-UHFFFAOYSA-N
Physicochemical Property
logP
3.8692
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
73.93
Hydrogen Bond Donor Count
0
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: 913795
ChEMBL ID
CHEMBL565432
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 = 78000 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 > 100000 nM
   TI
   LI
   LO
   TS