General Information of the Compound
| Compound ID |
CP0406613
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9434711, 510
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H17F4NO4S2
|
||||||||||||||||||
| Molecular Weight |
475.485
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(sc2ccccc12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)CCC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H17F4NO4S2/c1-12-14-4-2-3-5-17(14)30-19(12)25(31(28,29)9-8-18(26)27)11-13-6-7-16(21)15(10-13)20(22,23)24/h2-7,10H,8-9,11H2,1H3,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RKGVYHPCPANBJM-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