General Information of the Compound
Compound ID
CP0382000
Compound Name
N-(2-adamantyl)-N'-(2-phenylethoxy)oxamide
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Structure
Formula
C20H26N2O3
Molecular Weight
342.439
Canonical SMILES
O=C(NOCCc1ccccc1)C(=O)NC1C2CC3CC(C2)CC1C3
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InChI
InChI=1S/C20H26N2O3/c23-19(20(24)22-25-7-6-13-4-2-1-3-5-13)21-18-16-9-14-8-15(11-16)12-17(18)10-14/h1-5,14-18H,6-12H2,(H,21,23)(H,22,24)
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InChIKey
FXMDDTAUXXXIJW-UHFFFAOYSA-N
Physicochemical Property
logP
2.2178
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
67.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 76321067
ChEMBL ID
CHEMBL3103805
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: PT01103, Bifunctional epoxide hydrolase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 4400 nM
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