General Information of the Compound
| Compound ID |
CP0503581
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Methoxy-N-(7-oxo-4-phenyl-oxepan-4-ylmethyl)-benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23NO4
|
||||||||||||||||||
| Molecular Weight |
353.418
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1C(=O)NCC1(CCOC(=O)CC1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23NO4/c1-25-18-10-6-5-9-17(18)20(24)22-15-21(16-7-3-2-4-8-16)12-11-19(23)26-14-13-21/h2-10H,11-15H2,1H3,(H,22,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DBATVNQYVGHPQA-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