General Information of the Compound
| Compound ID |
CP0449517
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[1-(5-methoxy-1-methylindol-3-yl)cyclopentyl]methyl]cyclopropanecarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H26N2O2
|
||||||||||||||||||
| Molecular Weight |
326.44
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2n(C)cc(c2c1)C1(CNC(=O)C2CC2)CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H26N2O2/c1-22-12-17(16-11-15(24-2)7-8-18(16)22)20(9-3-4-10-20)13-21-19(23)14-5-6-14/h7-8,11-12,14H,3-6,9-10,13H2,1-2H3,(H,21,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KTPQYVCIQCBLCF-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