General Information of the Compound
| Compound ID |
CP0495345
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9434711, 488
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H17F2NO4S2
|
||||||||||||||||||
| Molecular Weight |
473.522
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(sc2ccccc12)N(Cc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(cc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H17F2NO4S2/c1-14-18-4-2-3-5-21(18)31-22(14)26(13-15-6-11-19(24)20(25)12-15)32(29,30)17-9-7-16(8-10-17)23(27)28/h2-12H,13H2,1H3,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
APVBIWKDGLITBN-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