General Information of the Compound
| Compound ID |
CP0518349
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8987445, 240
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H24F3N3O5S
|
||||||||||||||||||
| Molecular Weight |
559.566
|
||||||||||||||||||
| Canonical SMILES |
CCONC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1ncc2ccccc2c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H24F3N3O5S/c1-3-37-32-26(34)20-10-14-23(15-11-20)39(35,36)33(17-19-8-12-22(13-9-19)38-27(28,29)30)25-18(2)24-7-5-4-6-21(24)16-31-25/h4-16H,3,17H2,1-2H3,(H,32,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DGEGUHMPYAGQTI-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