General Information of the Compound
Compound ID
CP0421922
Compound Name
N-(3-aminopropyl)-2-naphthalen-2-yl-N-[(E)-3-phenylprop-2-enyl]acetamide
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Structure
Formula
C24H26N2O
Molecular Weight
358.485
Canonical SMILES
NCCCN(C\C=C\c1ccccc1)C(=O)Cc1ccc2ccccc2c1
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InChI
InChI=1S/C24H26N2O/c25-15-7-17-26(16-6-10-20-8-2-1-3-9-20)24(27)19-21-13-14-22-11-4-5-12-23(22)18-21/h1-6,8-14,18H,7,15-17,19,25H2/b10-6+
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InChIKey
SSWQLAMCYLIZNN-UXBLZVDNSA-N
Physicochemical Property
logP
4.2731
Rotatable Bonds
8
Heavy Atom Count
27
Polar Areas
46.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
27

"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: 44434601
ChEMBL ID
CHEMBL392223
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: PT01325, Melanocortin receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 33000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00914, Melanocortin receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 6400 nM
   TI
   LI
   LO
   TS
Protein ID: PT01804, Melanocortin receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01440, Melanocyte-stimulating hormone receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000087 B16 Mus musculus (Mouse)  1
1
Ki = 2500 nM
   TI
   LI
   LO
   TS