General Information of the Compound
| Compound ID |
CP0405922
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-N-(4-aminobutyl)-3-(1H-indol-3-yl)-2-(2-phenylethylcarbamoylamino)propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H31N5O2
|
||||||||||||||||||
| Molecular Weight |
421.545
|
||||||||||||||||||
| Canonical SMILES |
NCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H31N5O2/c25-13-6-7-14-26-23(30)22(16-19-17-28-21-11-5-4-10-20(19)21)29-24(31)27-15-12-18-8-2-1-3-9-18/h1-5,8-11,17,22,28H,6-7,12-16,25H2,(H,26,30)(H2,27,29,31)/t22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ALCIJSWNWVGYMD-QFIPXVFZSA-N
|
||||||||||||||||||
| Physicochemical Property |
"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). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
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: PT02450, Melanocortin receptor 3
Protein ID: PT01431, Melanocortin receptor 4
Protein ID: PT01528, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor