General Information of the Compound
Compound ID
CP0437776
Compound Name
5-anilino-N-(6-morpholin-4-ylpyridin-3-yl)-1,3,4-oxadiazole-2-carboxamide
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Structure
Formula
C18H18N6O3
Molecular Weight
366.381
Canonical SMILES
O=C(Nc1ccc(nc1)N1CCOCC1)c1nnc(Nc2ccccc2)o1
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InChI
InChI=1S/C18H18N6O3/c25-16(17-22-23-18(27-17)21-13-4-2-1-3-5-13)20-14-6-7-15(19-12-14)24-8-10-26-11-9-24/h1-7,12H,8-11H2,(H,20,25)(H,21,23)
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InChIKey
RSFJMISTKPRTLU-UHFFFAOYSA-N
Physicochemical Property
logP
2.2971
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
105.41
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Complexity
27

"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: 11703345
SID: 16808003
ChEMBL ID
CHEMBL2036587
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: PT02536, Diacylglycerol O-acyltransferase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 620 nM
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