General Information of the Compound
| Compound ID |
CP0414248
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9187424, 192
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H22F6N6O3
|
||||||||||||||||||
| Molecular Weight |
568.478
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cc1)C1=C(NC(=O)n2ncnn2)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H22F6N6O3/c1-15-3-5-16(6-4-15)19-13-23(25(29,30)31,35-21(38)20(19)34-22(39)37-33-14-32-36-37)17-7-9-18(10-8-17)40-12-2-11-24(26,27)28/h3-10,14H,2,11-13H2,1H3,(H,34,39)(H,35,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JGLSOPJQETUTGL-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