General Information of the Compound
Compound ID
CP0442490
Compound Name
(R)-2-amino-N-(5-amino-pentyl)-N-benzyl-3-biphenyl-4-yl-propionamide
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Structure
Formula
C27H33N3O
Molecular Weight
415.581
Canonical SMILES
NCCCCCN(Cc1ccccc1)C(=O)[C@H](N)Cc1ccc(cc1)-c1ccccc1
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InChI
InChI=1S/C27H33N3O/c28-18-8-3-9-19-30(21-23-10-4-1-5-11-23)27(31)26(29)20-22-14-16-25(17-15-22)24-12-6-2-7-13-24/h1-2,4-7,10-17,26H,3,8-9,18-21,28-29H2/t26-/m1/s1
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InChIKey
FCYDDJQPANALIH-AREMUKBSSA-N
Physicochemical Property
logP
4.3812
Rotatable Bonds
11
Heavy Atom Count
31
Polar Areas
72.35
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
31

"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: 44434661
ChEMBL ID
CHEMBL235136
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 = 18000 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 = 14000 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 = 20000 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 = 3900 nM
   TI
   LI
   LO
   TS