General Information of the Compound
| Compound ID |
CP0413498
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9216968, 222
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H19F3N4O5S
|
||||||||||||||||||
| Molecular Weight |
556.522
|
||||||||||||||||||
| Canonical SMILES |
COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1ccc2C=CS(=O)(=O)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H19F3N4O5S/c1-38-13-22-32-20-11-16(31-24(34)17-4-2-3-5-19(17)26(27,28)29)10-18(23(20)33-22)25(35)30-15-7-6-14-8-9-39(36,37)21(14)12-15/h2-12H,13H2,1H3,(H,30,35)(H,31,34)(H,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SOUQFLKYLIWRDC-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