General Information of the Compound
| Compound ID |
CP0539538
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9428456, 2.086
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H31F3N4O2
|
||||||||||||||||||
| Molecular Weight |
476.543
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)NC(=O)C1CCCN(Cc2cccc(NC(=O)c3cccc(n3)C(F)(F)F)c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H31F3N4O2/c1-24(2,3)31-22(33)18-8-6-13-32(14-12-18)16-17-7-4-9-19(15-17)29-23(34)20-10-5-11-21(30-20)25(26,27)28/h4-5,7,9-11,15,18H,6,8,12-14,16H2,1-3H3,(H,29,34)(H,31,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QLFOTEHTHCYPKQ-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