General Information of the Compound
Compound ID
CP0399817
Compound Name
5-[(4-chlorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazole-2-carboxamide
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Structure
Formula
C20H18ClN5O4
Molecular Weight
427.848
Canonical SMILES
Clc1ccc(cc1)C(=O)Nc1nnc(o1)C(=O)Nc1ccc(cc1)N1CCOCC1
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InChI
InChI=1S/C20H18ClN5O4/c21-14-3-1-13(2-4-14)17(27)23-20-25-24-19(30-20)18(28)22-15-5-7-16(8-6-15)26-9-11-29-12-10-26/h1-8H,9-12H2,(H,22,28)(H,23,25,27)
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InChIKey
PWQXCYLQJXYHMK-UHFFFAOYSA-N
Physicochemical Property
logP
3.0642
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
109.59
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
30

"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: 15981292
SID: 24260207
ChEMBL ID
CHEMBL2036736
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 = 370 nM
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