General Information of the Compound
Compound ID
CP0525527
Compound Name
5-(2-fluoroanilino)-N-(5-morpholin-4-ylpyridin-2-yl)-1,3,4-oxadiazole-2-carboxamide
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Structure
Formula
C18H17FN6O3
Molecular Weight
384.371
Canonical SMILES
Fc1ccccc1Nc1nnc(o1)C(=O)Nc1ccc(cn1)N1CCOCC1
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InChI
InChI=1S/C18H17FN6O3/c19-13-3-1-2-4-14(13)21-18-24-23-17(28-18)16(26)22-15-6-5-12(11-20-15)25-7-9-27-10-8-25/h1-6,11H,7-10H2,(H,21,24)(H,20,22,26)
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InChIKey
UUHAXNMQKOBKMS-UHFFFAOYSA-N
Physicochemical Property
logP
2.4362
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
105.41
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Complexity
28

"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: 70694391
ChEMBL ID
CHEMBL2036572
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 = 11000 nM
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