General Information of the Compound
| Compound ID |
CP0549970
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10668051, Compound Example 49
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H13Cl2F3N4O
|
||||||||||||||||||
| Molecular Weight |
441.24
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cc(C2CC2)n(n1)-c1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H13Cl2F3N4O/c20-13-8-25-9-14(21)17(13)18(29)26-11-3-5-12(6-4-11)28-15(10-1-2-10)7-16(27-28)19(22,23)24/h3-10H,1-2H2,(H,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VFULESSGOQEDRW-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