General Information of the Compound
| Compound ID |
CP0448892
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[1-(5-hydroxy-1-methylindol-3-yl)cyclobutyl]methyl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H22N2O2
|
||||||||||||||||||
| Molecular Weight |
286.375
|
||||||||||||||||||
| Canonical SMILES |
CCC(=O)NCC1(CCC1)c1cn(C)c2ccc(O)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H22N2O2/c1-3-16(21)18-11-17(7-4-8-17)14-10-19(2)15-6-5-12(20)9-13(14)15/h5-6,9-10,20H,3-4,7-8,11H2,1-2H3,(H,18,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QYSQJWAHRVRDAH-UHFFFAOYSA-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: PT01843, Melatonin receptor type 1A
Protein ID: PT02174, Melatonin receptor type 1B