General Information of the Compound
Compound ID
CP0386119
Compound Name
N-[(1R,2S)-2-(2-methoxynaphthalen-1-yl)cyclopropyl]acetamide
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Structure
Formula
C16H17NO2
Molecular Weight
255.317
Canonical SMILES
COc1ccc2ccccc2c1[C@@H]1C[C@H]1NC(C)=O
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InChI
InChI=1S/C16H17NO2/c1-10(18)17-14-9-13(14)16-12-6-4-3-5-11(12)7-8-15(16)19-2/h3-8,13-14H,9H2,1-2H3,(H,17,18)/t13-,14-/m1/s1
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InChIKey
RTTDJZBASRHBJW-ZIAGYGMSSA-N
Physicochemical Property
logP
2.8404
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
38.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 15453093
SID: 163537906
ChEMBL ID
CHEMBL2314252
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: PT01843, Melatonin receptor type 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 3.7 nM
   TI
   LI
   LO
   TS
Protein ID: PT02174, Melatonin receptor type 1B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 2.6 nM
   TI
   LI
   LO
   TS