General Information of the Compound
| Compound ID |
CP0858210
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-(Benzo[b]thiophen-3-yl)-9-methoxy-4-(pyridin-3-ylmethyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H20N2O3S
|
||||||||||||||||||
| Molecular Weight |
416.502
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H20N2O3S/c1-28-21-12-17(20-15-30-22-7-3-2-6-18(20)22)11-19-23(21)29-10-9-26(24(19)27)14-16-5-4-8-25-13-16/h2-8,11-13,15H,9-10,14H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
STCNCIGJHHIFOF-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