General Information of the Compound
| Compound ID |
CP0373864
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-benzyl-1-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H36N2
|
||||||||||||||||||
| Molecular Weight |
400.61
|
||||||||||||||||||
| Canonical SMILES |
C(CN1CCCCC1)C#Cc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H36N2/c1-3-10-26(11-4-1)23-27-16-21-30(22-17-27)24-28-14-12-25(13-15-28)9-5-8-20-29-18-6-2-7-19-29/h1,3-4,10-15,27H,2,6-8,16-24H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
PBNNHHJLMBMBNF-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