General Information of the Compound
| Compound ID |
CP0549847
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10668051, Compound Example 91
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H13F5N4O
|
||||||||||||||||||
| Molecular Weight |
408.33
|
||||||||||||||||||
| Canonical SMILES |
Fc1cnccc1C(=O)Nc1ccc(c(F)c1)-n1nc(cc1C1CC1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H13F5N4O/c20-13-7-11(26-18(29)12-5-6-25-9-14(12)21)3-4-15(13)28-16(10-1-2-10)8-17(27-28)19(22,23)24/h3-10H,1-2H2,(H,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZZXATCCXNXZJSE-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