General Information of the Compound
Compound ID
CP0525262
Compound Name
5-benzamido-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazole-2-carboxamide
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Structure
Formula
C20H19N5O4
Molecular Weight
393.403
Canonical SMILES
O=C(Nc1ccc(cc1)N1CCOCC1)c1nnc(NC(=O)c2ccccc2)o1
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InChI
InChI=1S/C20H19N5O4/c26-17(14-4-2-1-3-5-14)22-20-24-23-19(29-20)18(27)21-15-6-8-16(9-7-15)25-10-12-28-13-11-25/h1-9H,10-13H2,(H,21,27)(H,22,24,26)
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InChIKey
SIQZBMCHNIQQOL-UHFFFAOYSA-N
Physicochemical Property
logP
2.4108
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
109.59
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: 15981323
SID: 24260239
ChEMBL ID
CHEMBL2036747
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 = 5200 nM
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