General Information of the Compound
Compound ID
CP0416908
Compound Name
5-(2-fluoroanilino)-N-(4-phenylphenyl)-1,3,4-oxadiazole-2-carboxamide
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Structure
Formula
C21H15FN4O2
Molecular Weight
374.375
Canonical SMILES
Fc1ccccc1Nc1nnc(o1)C(=O)Nc1ccc(cc1)-c1ccccc1
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InChI
InChI=1S/C21H15FN4O2/c22-17-8-4-5-9-18(17)24-21-26-25-20(28-21)19(27)23-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H,23,27)(H,24,26)
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InChIKey
ULHJJYRIVGIWEO-UHFFFAOYSA-N
Physicochemical Property
logP
4.8716
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
80.05
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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: 59464134
ChEMBL ID
CHEMBL2036580
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 = 120 nM
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