General Information of the Compound
| Compound ID |
CP0416985
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-hydroxy-2-phenylethyl)-1,2,4-triazinane-3,5,6-trione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C11H11N3O4
|
||||||||||||||||||
| Molecular Weight |
249.226
|
||||||||||||||||||
| Canonical SMILES |
OC(Cn1nc(O)c(=O)[nH]c1=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C11H11N3O4/c15-8(7-4-2-1-3-5-7)6-14-11(18)12-9(16)10(17)13-14/h1-5,8,15H,6H2,(H,13,17)(H,12,16,18)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QIYXDLCDMZKCFU-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