General Information of the Compound
| Compound ID |
CP0410824
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(benzenesulfonyl)-5-(1-methylpiperidin-4-yl)-1,3-dihydroisoindole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H24N2O2S
|
||||||||||||||||||
| Molecular Weight |
356.491
|
||||||||||||||||||
| Canonical SMILES |
CN1CCC(CC1)c1ccc2CN(Cc2c1)S(=O)(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H24N2O2S/c1-21-11-9-16(10-12-21)17-7-8-18-14-22(15-19(18)13-17)25(23,24)20-5-3-2-4-6-20/h2-8,13,16H,9-12,14-15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZTDBLOKGFYLBNG-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