General Information of the Compound
| Compound ID |
CP0565719
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8618299, 26
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H22F3N3O
|
||||||||||||||||||
| Molecular Weight |
449.476
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-c1ccn(-c2ccc3c4C5CCCN5CCc4[nH]c3c2)c(=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H22F3N3O/c27-26(28,29)18-5-3-16(4-6-18)17-9-13-32(24(33)14-17)19-7-8-20-22(15-19)30-21-10-12-31-11-1-2-23(31)25(20)21/h3-9,13-15,23,30H,1-2,10-12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
DOTSSRYTRPOKLX-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