General Information of the Compound
| Compound ID |
CP0854694
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(4-Fluorophenyl)sulfonyl]-5-methoxy-3-[(4-methyl-1-piperazinyl)methyl]-1H-indole Dimesylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H32FN3O9S3
|
||||||||||||||||||
| Molecular Weight |
609.72
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2c(c1)c(CN1CCN(C)CC1)cn2S(=O)(=O)c1ccc(F)cc1.CS(=O)(=O)O.CS(=O)(=O)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H24FN3O3S.2CH4O3S/c1-23-9-11-24(12-10-23)14-16-15-25(21-8-5-18(28-2)13-20(16)21)29(26,27)19-6-3-17(22)4-7-19;2*1-5(2,3)4/h3-8,13,15H,9-12,14H2,1-2H3;2*1H3,(H,2,3,4)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZYAUEAYDZBUDJY-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