General Information of the Compound
| Compound ID |
CP0452100
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-butyl-8-(1-(2,6-dimethylbenzoyl)piperidin-4-yl)-3-((tetrahydro-2H-pyran-4-yl)methyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H47N3O4
|
||||||||||||||||||
| Molecular Weight |
525.734
|
||||||||||||||||||
| Canonical SMILES |
CCCCC1N(CC2CCOCC2)C(=O)OC11CCN(CC1)C1CCN(CC1)C(=O)c1c(C)cccc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H47N3O4/c1-4-5-9-27-31(38-30(36)34(27)22-25-12-20-37-21-13-25)14-18-32(19-15-31)26-10-16-33(17-11-26)29(35)28-23(2)7-6-8-24(28)3/h6-8,25-27H,4-5,9-22H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GSGHHANFVYYMSM-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