General Information of the Compound
| Compound ID |
CP0496621
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
benzyl 2-[(4R)-3-acetamido-2-oxo-4-[(E)-2-phenylethenyl]azetidin-1-yl]-2-(2-methyl-1,3-dioxolan-2-yl)acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28N2O6
|
||||||||||||||||||
| Molecular Weight |
464.518
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)NC1[C@@H](\C=C\c2ccccc2)N(C(C(=O)OCc2ccccc2)C2(C)OCCO2)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28N2O6/c1-18(29)27-22-21(14-13-19-9-5-3-6-10-19)28(24(22)30)23(26(2)33-15-16-34-26)25(31)32-17-20-11-7-4-8-12-20/h3-14,21-23H,15-17H2,1-2H3,(H,27,29)/b14-13+/t21-,22?,23?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QMRJUPVBBVCCGS-QZKRQQONSA-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