General Information of the Compound
Compound ID
CP0550085
Compound Name
(1-ethylnaphthalen-2-yl) N,N-dimethylcarbamate
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Structure
Formula
C15H17NO2
Molecular Weight
243.306
Canonical SMILES
CCc1c(OC(=O)N(C)C)ccc2ccccc12
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InChI
InChI=1S/C15H17NO2/c1-4-12-13-8-6-5-7-11(13)9-10-14(12)18-15(17)16(2)3/h5-10H,4H2,1-3H3
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InChIKey
LBDJEDUKOHTDSZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.4626
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
29.54
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 70684701
SID: 163452073
ChEMBL ID
CHEMBL2071633
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 = 6800 nM
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