General Information of the Compound
| Compound ID |
CP0460483
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-bromophenyl)sulfonyl-3-[[4-(2-fluoroethyl)piperazin-1-yl]methyl]-5-methoxyindole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25BrFN3O3S
|
||||||||||||||||||
| Molecular Weight |
510.429
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2n(cc(CN3CCN(CCF)CC3)c2c1)S(=O)(=O)c1ccccc1Br
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25BrFN3O3S/c1-30-18-6-7-21-19(14-18)17(15-26-12-10-25(9-8-24)11-13-26)16-27(21)31(28,29)22-5-3-2-4-20(22)23/h2-7,14,16H,8-13,15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DUXVWQIWPMUIAV-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