General Information of the Compound
| Compound ID |
CP0551249
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3-fluorobenzoyl)-N-[[4-(methylsulfonylmethyl)-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H20F4N2O4S
|
||||||||||||||||||
| Molecular Weight |
532.515
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3n(ccc3c2)C(=O)c2cccc(F)c2)c(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H20F4N2O4S/c1-37(35,36)15-16-5-6-20(22(11-16)26(28,29)30)14-31-24(33)18-7-8-23-17(12-18)9-10-32(23)25(34)19-3-2-4-21(27)13-19/h2-13H,14-15H2,1H3,(H,31,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AHIVINZFCKUKLX-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 | |||||||||||||||||||
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