General Information of the Compound
| Compound ID |
CP0444209
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-(3-chlorophenyl)ethyl]-1,2,4-triazinane-3,5,6-trione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C11H10ClN3O3
|
||||||||||||||||||
| Molecular Weight |
267.672
|
||||||||||||||||||
| Canonical SMILES |
Oc1nn(CCc2cccc(Cl)c2)c(=O)[nH]c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C11H10ClN3O3/c12-8-3-1-2-7(6-8)4-5-15-11(18)13-9(16)10(17)14-15/h1-3,6H,4-5H2,(H,14,17)(H,13,16,18)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ICZHAIHQUGBMCM-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