General Information of the Compound
| Compound ID |
CP0466765
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-(4-cyclohexylbenzoyl)-3-(2-oxo-2-(piperidin-1-yl)ethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H42N4O3
|
||||||||||||||||||
| Molecular Weight |
542.724
|
||||||||||||||||||
| Canonical SMILES |
O=C(CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc(cc2)C2CCCCC2)C1=O)N1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H42N4O3/c38-30(34-20-8-3-9-21-34)24-36-25-37(29-12-6-2-7-13-29)33(32(36)40)18-22-35(23-19-33)31(39)28-16-14-27(15-17-28)26-10-4-1-5-11-26/h2,6-7,12-17,26H,1,3-5,8-11,18-25H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
VQMYRLKREOVONL-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