General Information of the Compound
| Compound ID |
CP0421954
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N-(5-aminopentyl)-N-(2-chloro-3-phenylallyl)-4-(1H-indol-3-yl)butanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H32ClN3O
|
||||||||||||||||||
| Molecular Weight |
438.015
|
||||||||||||||||||
| Canonical SMILES |
NCCCCCN(C\C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H32ClN3O/c27-23(18-21-10-3-1-4-11-21)20-30(17-8-2-7-16-28)26(31)15-9-12-22-19-29-25-14-6-5-13-24(22)25/h1,3-6,10-11,13-14,18-19,29H,2,7-9,12,15-17,20,28H2/b23-18+
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZBYKLSYIJVULOQ-PTGBLXJZSA-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: PT01325, Melanocortin receptor 3
Protein ID: PT00914, Melanocortin receptor 4
Protein ID: PT01804, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor