General Information of the Compound
Compound ID
CP0421151
Compound Name
(6-bromonaphthalen-2-yl) N,N-dimethylcarbamate
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Structure
Formula
C13H12BrNO2
Molecular Weight
294.148
Canonical SMILES
CN(C)C(=O)Oc1ccc2cc(Br)ccc2c1
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InChI
InChI=1S/C13H12BrNO2/c1-15(2)13(16)17-12-6-4-9-7-11(14)5-3-10(9)8-12/h3-8H,1-2H3
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InChIKey
ZTABFUIHKCTRLV-UHFFFAOYSA-N
Physicochemical Property
logP
3.6627
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
29.54
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 807327
ChEMBL ID
CHEMBL2071629
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 = 920 nM
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