General Information of the Compound
| Compound ID |
CP0391143
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10597366, Compound 292
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H11F4NO4S
|
||||||||||||||||||
| Molecular Weight |
401.337
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2[C@@H](F)C(F)(F)[C@@H](O)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H11F4NO4S/c1-27(24,25)12-3-2-11(13-14(12)16(23)17(20,21)15(13)19)26-10-5-8(7-22)4-9(18)6-10/h2-6,15-16,23H,1H3/t15-,16+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VHWGCWVDVWACAH-CVEARBPZSA-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