General Information of the Compound
Compound ID
CP0457962
Compound Name
N-(5-aminopentyl)-2-(1H-indol-3-yl)-N-(naphthalen-2-ylmethyl)acetamide
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Structure
Formula
C26H29N3O
Molecular Weight
399.538
Canonical SMILES
NCCCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12
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InChI
InChI=1S/C26H29N3O/c27-14-6-1-7-15-29(19-20-12-13-21-8-2-3-9-22(21)16-20)26(30)17-23-18-28-25-11-5-4-10-24(23)25/h2-5,8-13,16,18,28H,1,6-7,14-15,17,19,27H2
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InChIKey
LXBNLRZUYSTVJJ-UHFFFAOYSA-N
Physicochemical Property
logP
5.0214
Rotatable Bonds
9
Heavy Atom Count
30
Polar Areas
62.12
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
30

"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: 10157774
SID: 15150935
ChEMBL ID
CHEMBL236842
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 = 50000 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 = 13000 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 = 5200 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 = 1500 nM
   TI
   LI
   LO
   TS