General Information of the Compound
Compound ID
CP0496675
Compound Name
N-[2-(6-methoxynaphthalen-1-yl)ethyl]cyclobutanecarboxamide
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Structure
Formula
C18H21NO2
Molecular Weight
283.371
Canonical SMILES
COc1ccc2c(CCNC(=O)C3CCC3)cccc2c1
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InChI
InChI=1S/C18H21NO2/c1-21-16-8-9-17-13(4-2-7-15(17)12-16)10-11-19-18(20)14-5-3-6-14/h2,4,7-9,12,14H,3,5-6,10-11H2,1H3,(H,19,20)
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InChIKey
VJOIXTVNXQLIGB-UHFFFAOYSA-N
Physicochemical Property
logP
3.3072
Rotatable Bonds
5
Heavy Atom Count
21
Polar Areas
38.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 10062381
SID: 15046904
ChEMBL ID
CHEMBL111674
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: PT02130, Ribosyldihydronicotinamide dehydrogenase [quinone]
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 70.79 nM
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