General Information of the Compound
| Compound ID |
CP0470328
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8889668, I29
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H19F3N2O2
|
||||||||||||||||||
| Molecular Weight |
388.389
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)Oc1ccccc1-c1noc(n1)-c1ccc(cc1)C1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H19F3N2O2/c22-21(23,24)27-18-9-5-4-8-17(18)19-25-20(28-26-19)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h4-5,8-14H,1-3,6-7H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
URRSPDOIOXJQND-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