General Information of the Compound
| Compound ID |
CP0390166
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4,4-bis(4-methoxyphenyl)-5-phenylpent-2-ynyl]piperidine-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H33NO4
|
||||||||||||||||||
| Molecular Weight |
483.608
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)C(Cc1ccccc1)(C#CCN1CCCC(C1)C(O)=O)c1ccc(OC)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H33NO4/c1-35-28-15-11-26(12-16-28)31(22-24-8-4-3-5-9-24,27-13-17-29(36-2)18-14-27)19-7-21-32-20-6-10-25(23-32)30(33)34/h3-5,8-9,11-18,25H,6,10,20-23H2,1-2H3,(H,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZAYDBBPQIIXBHO-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: PT03285, Sodium- and chloride-dependent GABA transporter 1
Protein ID: PT03076, Sodium- and chloride-dependent GABA transporter 3