General Information of the Compound
| Compound ID |
CP0549935
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9040693, 191
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H18F2N2O5S2
|
||||||||||||||||||
| Molecular Weight |
504.536
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(F)cc1C(C)(C)Sc1ccc(F)c(c1)-n1c(=O)[nH]c2csc(C(O)=O)c2c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H18F2N2O5S2/c1-23(2,13-8-11(24)4-7-17(13)32-3)34-12-5-6-14(25)16(9-12)27-20(28)18-15(26-22(27)31)10-33-19(18)21(29)30/h4-10H,1-3H3,(H,26,31)(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PUBRGANQNDOUMV-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