General Information of the Compound
Compound ID
CP0550083
Compound Name
methyl 2-(dimethylcarbamoyloxy)naphthalene-1-carboxylate
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Structure
Formula
C15H15NO4
Molecular Weight
273.288
Canonical SMILES
COC(=O)c1c(OC(=O)N(C)C)ccc2ccccc12
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InChI
InChI=1S/C15H15NO4/c1-16(2)15(18)20-12-9-8-10-6-4-5-7-11(10)13(12)14(17)19-3/h4-9H,1-3H3
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InChIKey
RBFZZNQZZOFBAN-UHFFFAOYSA-N
Physicochemical Property
logP
2.6868
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
55.84
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 70686843
SID: 163452079
ChEMBL ID
CHEMBL2069331
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: PT01117, Neutral cholesterol ester hydrolase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000314 HEK293T/17 Homo sapiens (Human)  1
1
IC50 = 3900 nM
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