General Information of the Compound
| Compound ID |
CP0373468
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[7-[4-[8-[2-(but-3-enoylamino)ethyl]naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]ethyl]but-3-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H40N2O4
|
||||||||||||||||||
| Molecular Weight |
564.726
|
||||||||||||||||||
| Canonical SMILES |
C=CCC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)CC=C)c4c3)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H40N2O4/c1-3-9-35(39)37-21-19-29-13-7-11-27-15-17-31(25-33(27)29)41-23-5-6-24-42-32-18-16-28-12-8-14-30(34(28)26-32)20-22-38-36(40)10-4-2/h3-4,7-8,11-18,25-26H,1-2,5-6,9-10,19-24H2,(H,37,39)(H,38,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OLKIGINISJLZQG-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