General Information of the Compound
| Compound ID |
CP0474650
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-ethyl-3-[2-(2-methoxyquinolin-8-yl)ethyl]thiourea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H19N3OS
|
||||||||||||||||||
| Molecular Weight |
289.404
|
||||||||||||||||||
| Canonical SMILES |
CCNC(=S)NCCc1cccc2ccc(OC)nc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H19N3OS/c1-3-16-15(20)17-10-9-12-6-4-5-11-7-8-13(19-2)18-14(11)12/h4-8H,3,9-10H2,1-2H3,(H2,16,17,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ICRWGHMRXPLABG-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