General Information of the Compound
| Compound ID |
CP0550558
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9062048, 125
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H33F3N6O3
|
||||||||||||||||||
| Molecular Weight |
522.572
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)NC1CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H33F3N6O3/c1-24(2,3)37-23(36)33-16-5-7-18(8-6-16)34-12-17(13-34)32-21(35)11-29-22-19-10-15(25(26,27)28)4-9-20(19)30-14-31-22/h4,9-10,14,16-18H,5-8,11-13H2,1-3H3,(H,32,35)(H,33,36)(H,29,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HAZIXYNHGMRKQR-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