General Information of the Compound
| Compound ID |
CP0445763
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-Ethyl-3-{3-[(R)-2-(4-phenyl-butyl)-2,3-dihydro-benzofuran-4-yl]-propyl}-urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H32N2O2
|
||||||||||||||||||
| Molecular Weight |
380.532
|
||||||||||||||||||
| Canonical SMILES |
CCNC(=O)NCCCc1cccc2O[C@H](CCCCc3ccccc3)Cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H32N2O2/c1-2-25-24(27)26-17-9-14-20-13-8-16-23-22(20)18-21(28-23)15-7-6-12-19-10-4-3-5-11-19/h3-5,8,10-11,13,16,21H,2,6-7,9,12,14-15,17-18H2,1H3,(H2,25,26,27)/t21-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NOXXWORJBNFRNY-OAQYLSRUSA-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