General Information of the Compound
| Compound ID |
CP0326474
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-Isopropyl-3-methyl-5-oxo-5H-isoxazole-2-carbonyl)-piperidine-3-carboxylic acid ethyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H24N2O5
|
||||||||||||||||||
| Molecular Weight |
324.377
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)C1CCCN(C1)C(=O)n1oc(=O)c(C(C)C)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H24N2O5/c1-5-22-14(19)12-7-6-8-17(9-12)16(21)18-11(4)13(10(2)3)15(20)23-18/h10,12H,5-9H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BOKZNVLQSUWKKZ-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