General Information of the Compound
| Compound ID |
CP0401393
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-(3-Chloro-4-fluorophenyl)-5,5-di(2-furyl)-1,5-dihydro-4,1-benzoxazepin-2(H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H15ClFNO4
|
||||||||||||||||||
| Molecular Weight |
423.827
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1Cl)-c1ccc2NC(=O)COC(c3ccco3)(c3ccco3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H15ClFNO4/c24-17-12-15(5-7-18(17)25)14-6-8-19-16(11-14)23(20-3-1-9-28-20,21-4-2-10-29-21)30-13-22(27)26-19/h1-12H,13H2,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BOBSETZWYSLPKM-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