General Information of the Compound
| Compound ID |
CP0557225
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9428456, 2.089
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H29F3N4O2
|
||||||||||||||||||
| Molecular Weight |
474.527
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cccc(n1)C(=O)Nc1cccc(CN2CCCC(CC2)C(=O)NCC2CC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H29F3N4O2/c26-25(27,28)22-8-2-7-21(31-22)24(34)30-20-6-1-4-18(14-20)16-32-12-3-5-19(11-13-32)23(33)29-15-17-9-10-17/h1-2,4,6-8,14,17,19H,3,5,9-13,15-16H2,(H,29,33)(H,30,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IBKMOKTZCWPLMZ-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