General Information of the Compound
| Compound ID |
CP0546710
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-(5-benzhydryltetrazol-1-yl)ethyl]-4-(2-phenylethyl)piperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H32N6
|
||||||||||||||||||
| Molecular Weight |
452.606
|
||||||||||||||||||
| Canonical SMILES |
C(Cc1ccccc1)N1CCN(CCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H32N6/c1-4-10-24(11-5-1)16-17-32-18-20-33(21-19-32)22-23-34-28(29-30-31-34)27(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,27H,16-23H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
HLEBHJDGJVLHOM-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