General Information of the Compound
| Compound ID |
CP0402886
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9365558, 85
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H33F3N2O5S
|
||||||||||||||||||
| Molecular Weight |
566.642
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C1=C(C(=O)NS(C)(=O)=O)C(=O)N[C@@](C)(C1)c1ccc(OCCCC(F)(F)F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H33F3N2O5S/c1-26(2,3)19-9-7-18(8-10-19)22-17-27(4,32-24(34)23(22)25(35)33-39(5,36)37)20-11-13-21(14-12-20)38-16-6-15-28(29,30)31/h7-14H,6,15-17H2,1-5H3,(H,32,34)(H,33,35)/t27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NZFRDLIYROWJDX-MHZLTWQESA-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