General Information of the Compound
| Compound ID |
CP0569144
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9216968, 228
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H17ClF3N5O4
|
||||||||||||||||||
| Molecular Weight |
543.889
|
||||||||||||||||||
| Canonical SMILES |
COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1nc2cc(Cl)ccc2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H17ClF3N5O4/c1-37-11-20-31-18-10-13(30-22(35)14-4-2-3-5-16(14)25(27,28)29)9-15(21(18)33-20)23(36)34-24-32-17-8-12(26)6-7-19(17)38-24/h2-10H,11H2,1H3,(H,30,35)(H,31,33)(H,32,34,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YKDBUSRIEFLLNT-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