General Information of the Compound
| Compound ID |
CP0443029
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8835470, 62
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H17F3N4O5
|
||||||||||||||||||
| Molecular Weight |
474.395
|
||||||||||||||||||
| Canonical SMILES |
OCCNC(=O)C(O)c1ccc(cc1)-c1noc(n1)-c1noc(c1C(F)(F)F)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H17F3N4O5/c23-22(24,25)15-16(28-33-18(15)13-4-2-1-3-5-13)21-27-19(29-34-21)14-8-6-12(7-9-14)17(31)20(32)26-10-11-30/h1-9,17,30-31H,10-11H2,(H,26,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JTCHCIPUXLNVAD-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