General Information of the Compound
| Compound ID |
CP0510244
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3,5-Difluoro-phenyl)-[1,2,4]triazinan-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C9H9F2N3O
|
||||||||||||||||||
| Molecular Weight |
213.187
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(F)cc(c1)N1CCNC(=O)N1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C9H9F2N3O/c10-6-3-7(11)5-8(4-6)14-2-1-12-9(15)13-14/h3-5H,1-2H2,(H2,12,13,15)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WTUHKBNSUJZYAZ-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