General Information of the Compound
| Compound ID |
CP0391150
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2,6-dimethylphenyl)piperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H39N3
|
||||||||||||||||||
| Molecular Weight |
405.63
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(C)c1N1CCN(CCCN2CCC(Cc3ccccc3)CC2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H39N3/c1-23-8-6-9-24(2)27(23)30-20-18-29(19-21-30)15-7-14-28-16-12-26(13-17-28)22-25-10-4-3-5-11-25/h3-6,8-11,26H,7,12-22H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
UBMQECHRFHGCMY-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: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter