General Information of the Compound
| Compound ID |
CP0921994
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-(2-(isoindolin-2-ylmethyl)-5-methoxy-1H-indol-3-yl)ethyl)cyclobutanecarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H29N3O2
|
||||||||||||||||||
| Molecular Weight |
403.526
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2[nH]c(CN3Cc4ccccc4C3)c(CCNC(=O)C3CCC3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H29N3O2/c1-30-20-9-10-23-22(13-20)21(11-12-26-25(29)17-7-4-8-17)24(27-23)16-28-14-18-5-2-3-6-19(18)15-28/h2-3,5-6,9-10,13,17,27H,4,7-8,11-12,14-16H2,1H3,(H,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OJNJRXMLVJNHGA-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