General Information of the Compound
| Compound ID |
CP0561220
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9434711, 455
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H17F4N5O2S2
|
||||||||||||||||||
| Molecular Weight |
547.559
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(sc2ccccc12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)c1cccc(c1)-c1nn[nH]n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H17F4N5O2S2/c1-14-18-7-2-3-8-21(18)36-23(14)33(13-15-9-10-20(25)19(11-15)24(26,27)28)37(34,35)17-6-4-5-16(12-17)22-29-31-32-30-22/h2-12H,13H2,1H3,(H,29,30,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DQECLHAORFABTE-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