General Information of the Compound
| Compound ID |
CP0574189
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9862730, Example 419
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H20F3N3O7S2
|
||||||||||||||||||
| Molecular Weight |
631.61
|
||||||||||||||||||
| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4ccccc4)c3)cc(OS(=O)(=O)C(F)(F)F)cc2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H20F3N3O7S2/c1-37-27-33-34-14-22(32-26(34)42-27)25-13-21-23(11-20(12-24(21)40-25)41-43(35,36)28(29,30)31)39-16-18-8-5-9-19(10-18)38-15-17-6-3-2-4-7-17/h2-14H,15-16H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZNHDCOPPLPIXTO-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