General Information of the Compound
| Compound ID |
CP0490939
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9422235, 104
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H18F3N3O2S
|
||||||||||||||||||
| Molecular Weight |
385.411
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cc(NCc2ccncc2)ccc1S(=O)(=O)NCC1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H18F3N3O2S/c18-17(19,20)15-9-14(22-10-13-5-7-21-8-6-13)3-4-16(15)26(24,25)23-11-12-1-2-12/h3-9,12,22-23H,1-2,10-11H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
YSJPDKNWAXNLER-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