General Information of the Compound
Compound ID
CP0410190
Compound Name
5-[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazole-2-carboxamide
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Structure
Formula
C23H24ClN5O4
Molecular Weight
469.929
Canonical SMILES
CC(C)(C(=O)Nc1nnc(o1)C(=O)Nc1ccc(cc1)N1CCOCC1)c1ccc(Cl)cc1
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InChI
InChI=1S/C23H24ClN5O4/c1-23(2,15-3-5-16(24)6-4-15)21(31)26-22-28-27-20(33-22)19(30)25-17-7-9-18(10-8-17)29-11-13-32-14-12-29/h3-10H,11-14H2,1-2H3,(H,25,30)(H,26,28,31)
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InChIKey
PQAPOLUOGYUHFT-UHFFFAOYSA-N
Physicochemical Property
logP
3.7282
Rotatable Bonds
6
Heavy Atom Count
33
Polar Areas
109.59
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
33

"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: 15980798
SID: 24259711
ChEMBL ID
CHEMBL2036737
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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