General Information of the Compound
| Compound ID |
CP0468954
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-hydroxy-8-[1-hydroxy-2-(3-phenylpropylamino)ethyl]-4H-1,4-benzoxazin-3-one;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H23ClN2O4
|
||||||||||||||||||
| Molecular Weight |
378.856
|
||||||||||||||||||
| Canonical SMILES |
Cl.OC(CNCCCc1ccccc1)c1cc(O)cc2NC(=O)COc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H22N2O4.ClH/c22-14-9-15(19-16(10-14)21-18(24)12-25-19)17(23)11-20-8-4-7-13-5-2-1-3-6-13;/h1-3,5-6,9-10,17,20,22-23H,4,7-8,11-12H2,(H,21,24);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
OUCMIFFYTOHQCE-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