General Information of the Compound
| Compound ID |
CP0557373
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9303045, 126
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H21F3N4O2
|
||||||||||||||||||
| Molecular Weight |
382.386
|
||||||||||||||||||
| Canonical SMILES |
CN1C2COCC1CC(C2)NC(=O)c1nn(CC(F)(F)F)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H21F3N4O2/c1-24-12-6-11(7-13(24)9-27-8-12)22-17(26)16-14-4-2-3-5-15(14)25(23-16)10-18(19,20)21/h2-5,11-13H,6-10H2,1H3,(H,22,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UVOXGHSCUXGFPR-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