General Information of the Compound
| Compound ID |
CP0403905
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[3-[(3S)-1-propylpiperidin-3-yl]phenyl] 4-methylbenzenesulfonate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H27NO3S
|
||||||||||||||||||
| Molecular Weight |
373.518
|
||||||||||||||||||
| Canonical SMILES |
CCCN1CCC[C@H](C1)c1cccc(OS(=O)(=O)c2ccc(C)cc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H27NO3S/c1-3-13-22-14-5-7-19(16-22)18-6-4-8-20(15-18)25-26(23,24)21-11-9-17(2)10-12-21/h4,6,8-12,15,19H,3,5,7,13-14,16H2,1-2H3/t19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HFJQAHIKNXSVRM-LJQANCHMSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor