General Information of the Compound
| Compound ID |
CP0439024
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(phenylsulfonyl)-1H-indole, 18l
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H26N2O2S
|
||||||||||||||||||
| Molecular Weight |
382.529
|
||||||||||||||||||
| Canonical SMILES |
CC1CCCN(CCc2cccc3[nH]cc(c23)S(=O)(=O)c2ccccc2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26N2O2S/c1-17-7-6-13-24(16-17)14-12-18-8-5-11-20-22(18)21(15-23-20)27(25,26)19-9-3-2-4-10-19/h2-5,8-11,15,17,23H,6-7,12-14,16H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JBNMIXNIEIEPSS-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01026, Sodium-dependent noradrenaline transporter