General Information of the Compound
Compound ID
CP0421915
Compound Name
N-(5-aminopentyl)-N-cycloheptyl-2-(1H-indol-3-yl)acetamide
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Structure
Formula
C22H33N3O
Molecular Weight
355.526
Canonical SMILES
NCCCCCN(C1CCCCCC1)C(=O)Cc1c[nH]c2ccccc12
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InChI
InChI=1S/C22H33N3O/c23-14-8-3-9-15-25(19-10-4-1-2-5-11-19)22(26)16-18-17-24-21-13-7-6-12-20(18)21/h6-7,12-13,17,19,24H,1-5,8-11,14-16,23H2
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InChIKey
OMIMGLYUGYGXAB-UHFFFAOYSA-N
Physicochemical Property
logP
4.3908
Rotatable Bonds
8
Heavy Atom Count
26
Polar Areas
62.12
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
26

"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: 10108894
SID: 15097522
ChEMBL ID
CHEMBL237693
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 = 14000 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: 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 = 35000 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 = 6000 nM
   TI
   LI
   LO
   TS