General Information of the Compound
| Compound ID |
CP0411360
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(3-phenylpropyl)piperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H36N6
|
||||||||||||||||||
| Molecular Weight |
480.66
|
||||||||||||||||||
| Canonical SMILES |
C(CN1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H36N6/c1-4-12-26(13-5-1)14-10-19-34-22-24-35(25-23-34)20-11-21-36-30(31-32-33-36)29(27-15-6-2-7-16-27)28-17-8-3-9-18-28/h1-9,12-13,15-18,29H,10-11,14,19-25H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
LJYXLCCNDPEXEP-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: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter