General Information of the Compound
| Compound ID |
CP0918990
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3,3-diphenyl-2-propenyl)cyclobutanecarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21NO
|
||||||||||||||||||
| Molecular Weight |
291.394
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCC=C(c1ccccc1)c1ccccc1)C1CCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21NO/c22-20(18-12-7-13-18)21-15-14-19(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,14,18H,7,12-13,15H2,(H,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
USGHTYXNEZXHLR-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