General Information of the Compound
| Compound ID |
CP0444213
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2,2-difluoro-2-phenylethyl)-1,2,4-triazinane-3,5,6-trione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C11H9F2N3O3
|
||||||||||||||||||
| Molecular Weight |
269.207
|
||||||||||||||||||
| Canonical SMILES |
Oc1nn(CC(F)(F)c2ccccc2)c(=O)[nH]c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C11H9F2N3O3/c12-11(13,7-4-2-1-3-5-7)6-16-10(19)14-8(17)9(18)15-16/h1-5H,6H2,(H,15,18)(H,14,17,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BIISEZMDGZUJAP-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