General Information of the Compound
| Compound ID |
CP0457221
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[1-acetyl-3-[(4-but-2-ynoxyphenyl)sulfonylamino]azetidin-3-yl]-N-hydroxyacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H21N3O6S
|
||||||||||||||||||
| Molecular Weight |
395.437
|
||||||||||||||||||
| Canonical SMILES |
CC#CCOc1ccc(cc1)S(=O)(=O)NC1(CC(=O)NO)CN(C1)C(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H21N3O6S/c1-3-4-9-26-14-5-7-15(8-6-14)27(24,25)19-17(10-16(22)18-23)11-20(12-17)13(2)21/h5-8,19,23H,9-12H2,1-2H3,(H,18,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LNZMVGLHBUWGHL-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