General Information of the Compound
| Compound ID |
CP0519470
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9365558, 36
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H27F7N2O6S
|
||||||||||||||||||
| Molecular Weight |
640.574
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)C1=C(C(=O)NS(C)(=O)=O)C(=O)N[C@@](C1)(c1ccc(OCCCCCC(F)(F)F)cc1F)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H27F7N2O6S/c1-41-17-8-6-16(7-9-17)19-15-25(27(32,33)34,35-23(37)22(19)24(38)36-43(2,39)40)20-11-10-18(14-21(20)28)42-13-5-3-4-12-26(29,30)31/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,35,37)(H,36,38)/t25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GDEYJQGRYQNNLK-VWLOTQADSA-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