General Information of the Compound
Compound ID
CP0548679
Compound Name
N-(6-anilinopyridin-3-yl)-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide
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Structure
Formula
C20H15FN6O2
Molecular Weight
390.378
Canonical SMILES
Fc1ccccc1Nc1nnc(o1)C(=O)Nc1ccc(Nc2ccccc2)nc1
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InChI
InChI=1S/C20H15FN6O2/c21-15-8-4-5-9-16(15)25-20-27-26-19(29-20)18(28)24-14-10-11-17(22-12-14)23-13-6-2-1-3-7-13/h1-12H,(H,22,23)(H,24,28)(H,25,27)
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InChIKey
VNQMVRNFJVTDAJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.3432
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
104.97
Hydrogen Bond Donor Count
3
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: 11603501
SID: 16706263
ChEMBL ID
CHEMBL2036585
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 = 60 nM
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