General Information of the Compound
| Compound ID |
CP0457843
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10058534, 31
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H20F3NO4S
|
||||||||||||||||||
| Molecular Weight |
499.51
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(=O)NCCC(F)(F)F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H20F3NO4S/c27-26(28,29)13-14-30-23(33)12-3-16-1-9-20(10-2-16)34-24-21-11-8-19(32)15-22(21)35-25(24)17-4-6-18(31)7-5-17/h1-12,15,31-32H,13-14H2,(H,30,33)/b12-3+
Show/Hide
|
||||||||||||||||||
| InChIKey |
YYSWXOGEMBMHTL-KGVSQERTSA-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