General Information of the Compound
Compound ID
CP0378153
Compound Name
5-(2-fluoroanilino)-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazole-2-carboxamide
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Structure
Formula
C19H18FN5O3
Molecular Weight
383.383
Canonical SMILES
Fc1ccccc1Nc1nnc(o1)C(=O)Nc1ccc(cc1)N1CCOCC1
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InChI
InChI=1S/C19H18FN5O3/c20-15-3-1-2-4-16(15)22-19-24-23-18(28-19)17(26)21-13-5-7-14(8-6-13)25-9-11-27-12-10-25/h1-8H,9-12H2,(H,21,26)(H,22,24)
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InChIKey
NDDNIUUHKJMKLD-UHFFFAOYSA-N
Physicochemical Property
logP
3.0412
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
92.52
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
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: 11703665
SID: 16808333
ChEMBL ID
CHEMBL2036567
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 = 520 nM
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