General Information of the Compound
Compound ID |
CP0428786
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
1-[4-(5-benzhydryltetrazol-1-yl)butyl]-4-(3-phenylpropyl)piperazine
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C31H38N6
|
||||||||||||||||||
Molecular Weight |
494.687
|
||||||||||||||||||
Canonical SMILES |
C(CCn1nnnc1C(c1ccccc1)c1ccccc1)CN1CCN(CCCc2ccccc2)CC1
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C31H38N6/c1-4-13-27(14-5-1)15-12-21-36-25-23-35(24-26-36)20-10-11-22-37-31(32-33-34-37)30(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-9,13-14,16-19,30H,10-12,15,20-26H2
Show/Hide
|
||||||||||||||||||
InChIKey |
DEJVANYKMSKYTL-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