General Information of the Compound
| Compound ID |
CP0103269
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(2-Ethoxy-ethyl)-3-methyl-2-(4-methyl-piperidine-1-carbonyl)-2H-isoxazol-5-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H24N2O4
|
||||||||||||||||||
| Molecular Weight |
296.367
|
||||||||||||||||||
| Canonical SMILES |
CCOCCc1c(C)n(oc1=O)C(=O)N1CCC(C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H24N2O4/c1-4-20-10-7-13-12(3)17(21-14(13)18)15(19)16-8-5-11(2)6-9-16/h11H,4-10H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
UBEJOTCLQMCMML-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