General Information of the Compound
| Compound ID |
CP0473039
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-(4-tert-butylbenzoyl)-3-(2-(4-hydroxypiperidin-1-yl)-2-oxoethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H40N4O4
|
||||||||||||||||||
| Molecular Weight |
532.685
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(=O)N1CCC2(CC1)N(CN(CC(=O)N1CCC(O)CC1)C2=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H40N4O4/c1-30(2,3)24-11-9-23(10-12-24)28(38)33-19-15-31(16-20-33)29(39)34(22-35(31)25-7-5-4-6-8-25)21-27(37)32-17-13-26(36)14-18-32/h4-12,26,36H,13-22H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PWTYWBWNILLXKJ-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