General Information of the Compound
Compound ID
CP0424425
Compound Name
5-(2-fluoroanilino)-N-(6-pyridin-3-yloxypyridin-3-yl)-1,3,4-oxadiazole-2-carboxamide
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Structure
Formula
C19H13FN6O3
Molecular Weight
392.35
Canonical SMILES
Fc1ccccc1Nc1nnc(o1)C(=O)Nc1ccc(Oc2cccnc2)nc1
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InChI
InChI=1S/C19H13FN6O3/c20-14-5-1-2-6-15(14)24-19-26-25-18(29-19)17(27)23-12-7-8-16(22-10-12)28-13-4-3-9-21-11-13/h1-11H,(H,23,27)(H,24,26)
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InChIKey
AXJPXNNQSIMWMD-UHFFFAOYSA-N
Physicochemical Property
logP
3.7869
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
115.06
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
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: 11646829
SID: 16750221
ChEMBL ID
CHEMBL2036584
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 = 410 nM
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