General Information of the Compound
Compound ID
CP0464448
Compound Name
N-(3-aminopropyl)-2-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)acetamide
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Structure
Formula
C26H26N2O
Molecular Weight
382.507
Canonical SMILES
NCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1ccc2ccccc2c1
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InChI
InChI=1S/C26H26N2O/c27-14-5-15-28(19-21-11-13-23-7-2-4-9-25(23)17-21)26(29)18-20-10-12-22-6-1-3-8-24(22)16-20/h1-4,6-13,16-17H,5,14-15,18-19,27H2
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InChIKey
PMRPWVAMGOBPMS-UHFFFAOYSA-N
Physicochemical Property
logP
4.9131
Rotatable Bonds
7
Heavy Atom Count
29
Polar Areas
46.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
29

"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: 10293285
SID: 15299940
ChEMBL ID
CHEMBL237528
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 = 12000 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 = 16000 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 = 5900 nM
   TI
   LI
   LO
   TS