General Information of the Compound
| Compound ID |
CP0579324
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-benzhydryl-4-[4-(5-methyltetrazol-1-yl)butyl]piperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H30N6
|
||||||||||||||||||
| Molecular Weight |
390.535
|
||||||||||||||||||
| Canonical SMILES |
Cc1nnnn1CCCCN1CCN(CC1)C(c1ccccc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H30N6/c1-20-24-25-26-29(20)15-9-8-14-27-16-18-28(19-17-27)23(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-7,10-13,23H,8-9,14-19H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XGSNEKLVYFLMEK-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 | |||||||||||||||||||
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