General Information of the Compound
Compound ID |
CP0482667
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2,6-dimethylphenyl)piperazine
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C29H34N6
|
||||||||||||||||||
Molecular Weight |
466.633
|
||||||||||||||||||
Canonical SMILES |
Cc1cccc(C)c1N1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C29H34N6/c1-23-11-9-12-24(2)28(23)34-21-19-33(20-22-34)17-10-18-35-29(30-31-32-35)27(25-13-5-3-6-14-25)26-15-7-4-8-16-26/h3-9,11-16,27H,10,17-22H2,1-2H3
Show/Hide
|
||||||||||||||||||
InChIKey |
BSDVYWZICLTEPH-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