General Information of the Compound
Compound ID
CP0462344
Compound Name
N-(2-adamantyl)-N'-phenylmethoxyoxamide
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Structure
Formula
C19H24N2O3
Molecular Weight
328.412
Canonical SMILES
O=C(NOCc1ccccc1)C(=O)NC1C2CC3CC(C2)CC1C3
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InChI
InChI=1S/C19H24N2O3/c22-18(19(23)21-24-11-12-4-2-1-3-5-12)20-17-15-7-13-6-14(9-15)10-16(17)8-13/h1-5,13-17H,6-11H2,(H,20,22)(H,21,23)
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InChIKey
KGPGVLQFAZZODB-UHFFFAOYSA-N
Physicochemical Property
logP
2.1753
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
67.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 73669466
ChEMBL ID
CHEMBL3103800
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 = 50 nM
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