General Information of the Compound
| Compound ID |
CP0500230
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[[4-[1-adamantyl(phenyl)methyl]phenyl]methyl]-4-methylpiperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H38N2
|
||||||||||||||||||
| Molecular Weight |
414.637
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(Cc2ccc(cc2)C(c2ccccc2)C23CC4CC(CC(C4)C2)C3)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H38N2/c1-30-11-13-31(14-12-30)21-22-7-9-27(10-8-22)28(26-5-3-2-4-6-26)29-18-23-15-24(19-29)17-25(16-23)20-29/h2-10,23-25,28H,11-21H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SFUKSBBZRGPCJX-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
Protein ID: PT01509, Sigma non-opioid intracellular receptor 1
Cell Viability or Cytotoxicity Assay