General Information of the Compound
Compound ID
CP0425620
Compound Name
N-[(E)-2-naphthalen-1-ylethenyl]acetamide
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Structure
Formula
C14H13NO
Molecular Weight
211.264
Canonical SMILES
CC(=O)N\C=C\c1cccc2ccccc12
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InChI
InChI=1S/C14H13NO/c1-11(16)15-10-9-13-7-4-6-12-5-2-3-8-14(12)13/h2-10H,1H3,(H,15,16)/b10-9+
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InChIKey
GVTSNGZRMWKWLO-MDZDMXLPSA-N
Physicochemical Property
logP
2.9466
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
29.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
16

"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: 44426096
SID: 163537911
ChEMBL ID
CHEMBL229015
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 = 6.7 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 = 1.4 nM
   TI
   LI
   LO
   TS