General Information of the Compound
| Compound ID |
CP0544504
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8835470, 51
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H26F3N5O6
|
||||||||||||||||||
| Molecular Weight |
573.528
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)NCCNC(=O)C(O)c1ccc(cc1)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H26F3N5O6/c1-26(2,3)39-25(38)32-14-13-31-23(37)20(36)16-9-11-17(12-10-16)22-33-24(41-35-22)21-18(27(28,29)30)19(34-40-21)15-7-5-4-6-8-15/h4-12,20,36H,13-14H2,1-3H3,(H,31,37)(H,32,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KJNNDKCKVLALBE-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