General Information of the Compound
| Compound ID |
CP0111066
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[1-[(4-chlorophenyl)methyl]-4-methoxyindol-2-yl]methyl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21ClN2O2
|
||||||||||||||||||
| Molecular Weight |
356.853
|
||||||||||||||||||
| Canonical SMILES |
CCC(=O)NCc1cc2c(OC)cccc2n1Cc1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21ClN2O2/c1-3-20(24)22-12-16-11-17-18(5-4-6-19(17)25-2)23(16)13-14-7-9-15(21)10-8-14/h4-11H,3,12-13H2,1-2H3,(H,22,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XXXKKZBZKUDKMA-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