General Information of the Compound
| Compound ID |
CP0518235
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9216968, 221
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H17F3N6O3S
|
||||||||||||||||||
| Molecular Weight |
526.5
|
||||||||||||||||||
| Canonical SMILES |
COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc2nsnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H17F3N6O3S/c1-36-11-19-29-18-10-12(28-22(34)13-5-2-3-6-15(13)24(25,26)27)9-14(20(18)31-19)23(35)30-16-7-4-8-17-21(16)33-37-32-17/h2-10H,11H2,1H3,(H,28,34)(H,29,31)(H,30,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WWBFVYDBKUREOB-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