General Information of the Compound
| Compound ID |
CP0561670
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9434711, 464
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H19F2NO5S2
|
||||||||||||||||||
| Molecular Weight |
491.537
|
||||||||||||||||||
| Canonical SMILES |
CC(O)C1=C(N(Cc2ccc(F)c(F)c2)S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H19F2NO5S2/c1-15(27)22-18-9-5-6-10-21(18)32(28,29)23(22)26(14-16-11-12-19(24)20(25)13-16)33(30,31)17-7-3-2-4-8-17/h2-13,15,27H,14H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZQXRDZWOSKBUBR-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