General Information of the Compound
Compound ID
CP0480124
Compound Name
5-(2-fluoroanilino)-N-(3-fluoro-4-morpholin-4-ylphenyl)-1,3,4-oxadiazole-2-carboxamide
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Structure
Formula
C19H17F2N5O3
Molecular Weight
401.373
Canonical SMILES
Fc1ccccc1Nc1nnc(o1)C(=O)Nc1ccc(N2CCOCC2)c(F)c1
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InChI
InChI=1S/C19H17F2N5O3/c20-13-3-1-2-4-15(13)23-19-25-24-18(29-19)17(27)22-12-5-6-16(14(21)11-12)26-7-9-28-10-8-26/h1-6,11H,7-10H2,(H,22,27)(H,23,25)
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InChIKey
QZNPOUJZAIGOML-UHFFFAOYSA-N
Physicochemical Property
logP
3.1803
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
92.52
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
29

"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: 11560414
SID: 16662668
ChEMBL ID
CHEMBL2036568
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 = 460 nM
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