General Information of the Compound
| Compound ID |
CP0504065
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9133168, Example 5b
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H19ClF2N4O3
|
||||||||||||||||||
| Molecular Weight |
412.824
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(CC(=O)Nc2ccc(F)c(Cl)c2)nc(cc1=O)N1CCOC(CF)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H19ClF2N4O3/c1-24-15(7-17(26)22-11-2-3-14(21)13(19)6-11)23-16(8-18(24)27)25-4-5-28-12(9-20)10-25/h2-3,6,8,12H,4-5,7,9-10H2,1H3,(H,22,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LFIVWJHVKDOCCY-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