General Information of the Compound
| Compound ID |
CP0415471
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(benzenesulfonyl)-5-(1-methylpiperidin-4-yl)-2,3-dihydroindole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H24N2O2S
|
||||||||||||||||||
| Molecular Weight |
356.491
|
||||||||||||||||||
| Canonical SMILES |
CN1CCC(CC1)c1ccc2N(CCc2c1)S(=O)(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H24N2O2S/c1-21-12-9-16(10-13-21)17-7-8-20-18(15-17)11-14-22(20)25(23,24)19-5-3-2-4-6-19/h2-8,15-16H,9-14H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XYXNDRMGQIINHD-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01194, Histamine H3 receptor