General Information of the Compound
| Compound ID |
CP0385460
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10047103, 220
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H22F3N5O4S
|
||||||||||||||||||
| Molecular Weight |
545.543
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OCc2nc(sc2C(F)(F)F)N2CCOCC2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H22F3N5O4S/c1-14-3-4-22-29-17(12-33(22)31-14)21-11-16-19(9-15(34-2)10-20(16)37-21)36-13-18-23(25(26,27)28)38-24(30-18)32-5-7-35-8-6-32/h3-4,9-12H,5-8,13H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HNFIUXBWXNOYRP-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