General Information of the Compound
| Compound ID |
CP0507270
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9434711, 410
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H18F3NO4S2
|
||||||||||||||||||
| Molecular Weight |
457.495
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(sc2ccccc12)N(CCCC(F)(F)F)S(=O)(=O)c1ccc(cc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18F3NO4S2/c1-13-16-5-2-3-6-17(16)29-18(13)24(12-4-11-20(21,22)23)30(27,28)15-9-7-14(8-10-15)19(25)26/h2-3,5-10H,4,11-12H2,1H3,(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KNZJBYQMVXQOMB-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