General Information of the Compound
| Compound ID |
CP0517086
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9434711, 74
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H21F4N3O2S2
|
||||||||||||||||||
| Molecular Weight |
511.566
|
||||||||||||||||||
| Canonical SMILES |
Cc1nn(C)c(C)c1S(=O)(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)c1sc2ccccc2c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21F4N3O2S2/c1-13-17-7-5-6-8-20(17)33-22(13)30(34(31,32)21-14(2)28-29(4)15(21)3)12-16-9-10-19(24)18(11-16)23(25,26)27/h5-11H,12H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DQZWBKPZYZNNBX-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