General Information of the Compound
| Compound ID |
CP0758513
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2,2-Difluoro-1,3-benzodioxol-5-yl)-methyl-N-[(S)-2-oxoazetidin-3-yl]-carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H10F2N2O5
|
||||||||||||||||||
| Molecular Weight |
300.217
|
||||||||||||||||||
| Canonical SMILES |
O=C(N[C@H]1CNC1=O)OCc1ccc2c(c1)OC(F)(F)O2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H10F2N2O5/c13-12(14)20-8-2-1-6(3-9(8)21-12)5-19-11(18)16-7-4-15-10(7)17/h1-3,7H,4-5H2,(H,15,17)(H,16,18)/t7-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GDHSOBFUCPTBHL-ZETCQYMHSA-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