General Information of the Compound
| Compound ID |
CP0412784
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-benzyl-1-[3-[5-(4-methoxyphenyl)tetrazol-1-yl]propyl]piperidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H29N5O
|
||||||||||||||||||
| Molecular Weight |
391.519
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-c1nnnn1CCCN1CCC(Cc2ccccc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H29N5O/c1-29-22-10-8-21(9-11-22)23-24-25-26-28(23)15-5-14-27-16-12-20(13-17-27)18-19-6-3-2-4-7-19/h2-4,6-11,20H,5,12-18H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QDSSWUXLHYDGCO-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