General Information of the Compound
| Compound ID |
CP0443747
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-bromo-4-[(4-methylpiperazin-1-yl)methyl]-1-(4-propan-2-ylphenyl)sulfonylindole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H28BrN3O2S
|
||||||||||||||||||
| Molecular Weight |
490.467
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1ccc(cc1)S(=O)(=O)n1cc(Br)c2c(CN3CCN(C)CC3)cccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H28BrN3O2S/c1-17(2)18-7-9-20(10-8-18)30(28,29)27-16-21(24)23-19(5-4-6-22(23)27)15-26-13-11-25(3)12-14-26/h4-10,16-17H,11-15H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NAXTYHKSXQALMV-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