General Information of the Compound
Compound ID
CP0432550
Compound Name
[1-bromo-6-(methylcarbamoyl)naphthalen-2-yl] N,N-dimethylcarbamate
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Structure
Formula
C15H15BrN2O3
Molecular Weight
351.2
Canonical SMILES
CNC(=O)c1ccc2c(Br)c(OC(=O)N(C)C)ccc2c1
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InChI
InChI=1S/C15H15BrN2O3/c1-17-14(19)10-4-6-11-9(8-10)5-7-12(13(11)16)21-15(20)18(2)3/h4-8H,1-3H3,(H,17,19)
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InChIKey
NKFBZEZUTHZPHP-UHFFFAOYSA-N
Physicochemical Property
logP
3.0223
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
58.64
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 70691014
SID: 163452219
ChEMBL ID
CHEMBL2071642
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 = 29000 nM
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