General Information of the Compound
| Compound ID |
CP0476068
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3,4-Dimethoxy-benzenesulfonyl)-3-(1-methyl-pyrrolidin-3-yl)-1H-indole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H24N2O4S
|
||||||||||||||||||
| Molecular Weight |
400.5
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1OC)S(=O)(=O)n1cc(C2CCN(C)C2)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H24N2O4S/c1-22-11-10-15(13-22)18-14-23(19-7-5-4-6-17(18)19)28(24,25)16-8-9-20(26-2)21(12-16)27-3/h4-9,12,14-15H,10-11,13H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZKBASIGNGVQFQO-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