General Information of the Compound
Compound ID
CP0441085
Compound Name
5-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazole-2-carboxamide
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Structure
Formula
C24H24ClN5O4
Molecular Weight
481.94
Canonical SMILES
Clc1ccc(cc1)C1(CCC1)C(=O)Nc1nnc(o1)C(=O)Nc1ccc(cc1)N1CCOCC1
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InChI
InChI=1S/C24H24ClN5O4/c25-17-4-2-16(3-5-17)24(10-1-11-24)22(32)27-23-29-28-21(34-23)20(31)26-18-6-8-19(9-7-18)30-12-14-33-15-13-30/h2-9H,1,10-15H2,(H,26,31)(H,27,29,32)
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InChIKey
SGNDVLKBECZULH-UHFFFAOYSA-N
Physicochemical Property
logP
3.8723
Rotatable Bonds
6
Heavy Atom Count
34
Polar Areas
109.59
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
34

"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: 16091082
SID: 24737196
ChEMBL ID
CHEMBL2036738
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 = 320 nM
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