General Information of the Compound
Compound ID
CP0542947
Compound Name
5-anilino-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazole-2-carboxamide
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Structure
Formula
C19H19N5O3
Molecular Weight
365.393
Canonical SMILES
O=C(Nc1ccc(cc1)N1CCOCC1)c1nnc(Nc2ccccc2)o1
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InChI
InChI=1S/C19H19N5O3/c25-17(18-22-23-19(27-18)21-14-4-2-1-3-5-14)20-15-6-8-16(9-7-15)24-10-12-26-13-11-24/h1-9H,10-13H2,(H,20,25)(H,21,23)
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InChIKey
PEVOMCOIDIUZEI-UHFFFAOYSA-N
Physicochemical Property
logP
2.9021
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
92.52
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
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: 11588661
SID: 16691165
ChEMBL ID
CHEMBL2036746
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 = 300 nM
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