General Information of the Compound
| Compound ID |
CP0262466
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9012461, 8
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28F3N5O
|
||||||||||||||||||
| Molecular Weight |
483.538
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)Cc1ccccc1CCc1nc(Nc2ccc(cc2)C2CCCCN2)ncc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28F3N5O/c27-26(28,29)21-16-32-25(33-20-11-8-18(9-12-20)22-7-3-4-14-31-22)34-23(21)13-10-17-5-1-2-6-19(17)15-24(30)35/h1-2,5-6,8-9,11-12,16,22,31H,3-4,7,10,13-15H2,(H2,30,35)(H,32,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OUVXLKVLJYMWRT-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