General Information of the Compound
Compound ID
CP0421148
Compound Name
(1-chloro-6-propylnaphthalen-2-yl) N,N-dimethylcarbamate
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Structure
Formula
C16H18ClNO2
Molecular Weight
291.778
Canonical SMILES
CCCc1ccc2c(Cl)c(OC(=O)N(C)C)ccc2c1
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InChI
InChI=1S/C16H18ClNO2/c1-4-5-11-6-8-13-12(10-11)7-9-14(15(13)17)20-16(19)18(2)3/h6-10H,4-5H2,1-3H3
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InChIKey
ZTENGLLBTHEIKA-UHFFFAOYSA-N
Physicochemical Property
logP
4.5061
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
29.54
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
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: 70682613
SID: 163452350
ChEMBL ID
CHEMBL2071654
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 = 150 nM
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