General Information of the Compound
Compound ID
CP0435864
Compound Name
N-(2-adamantyl)-N'-methoxy-N'-methyloxamide
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Structure
Formula
C14H22N2O3
Molecular Weight
266.341
Canonical SMILES
CON(C)C(=O)C(=O)NC1C2CC3CC(C2)CC1C3
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InChI
InChI=1S/C14H22N2O3/c1-16(19-2)14(18)13(17)15-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-12H,3-7H2,1-2H3,(H,15,17)
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InChIKey
PTYUSOKRGXYJCX-UHFFFAOYSA-N
Physicochemical Property
logP
0.9471
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
58.64
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 76324720
ChEMBL ID
CHEMBL3103808
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 > 10000 nM
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   LI
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   TS