General Information of the Compound
Compound ID
CP0432552
Compound Name
(1-acetylnaphthalen-2-yl) N,N-dimethylcarbamate
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Structure
Formula
C15H15NO3
Molecular Weight
257.289
Canonical SMILES
CN(C)C(=O)Oc1ccc2ccccc2c1C(C)=O
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InChI
InChI=1S/C15H15NO3/c1-10(17)14-12-7-5-4-6-11(12)8-9-13(14)19-15(18)16(2)3/h4-9H,1-3H3
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InChIKey
WDMYPXBONIHUIJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.1028
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
46.61
Hydrogen Bond Donor Count
0
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: 70697245
SID: 163452078
ChEMBL ID
CHEMBL2071638
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 = 11000 nM
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