General Information of the Compound
| Compound ID |
CP0430172
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[2-(5-benzhydryltetrazol-1-yl)ethyl]piperazin-1-yl]pyrimidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26N8
|
||||||||||||||||||
| Molecular Weight |
426.528
|
||||||||||||||||||
| Canonical SMILES |
C(Cn1nnnc1C(c1ccccc1)c1ccccc1)N1CCN(CC1)c1ncccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26N8/c1-3-8-20(9-4-1)22(21-10-5-2-6-11-21)23-27-28-29-32(23)19-16-30-14-17-31(18-15-30)24-25-12-7-13-26-24/h1-13,22H,14-19H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
SFRTVYWULBUPNB-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