General Information of the Compound
| Compound ID |
CP0137306
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10597366, Compound 63
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H11F4NO4S
|
||||||||||||||||||
| Molecular Weight |
401.337
|
||||||||||||||||||
| Canonical SMILES |
O[C@H]1c2c(CC1(F)F)c(Oc1cc(F)cc(c1)C#N)ccc2S(=O)(=O)CF
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H11F4NO4S/c18-8-27(24,25)14-2-1-13(12-6-17(20,21)16(23)15(12)14)26-11-4-9(7-22)3-10(19)5-11/h1-5,16,23H,6,8H2/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YSWXLTPYNSUTFS-INIZCTEOSA-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