General Information of the Compound
| Compound ID |
CP0526543
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9216981, 34
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H13Cl2F2N7O2S
|
||||||||||||||||||
| Molecular Weight |
548.362
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(F)c1Nc1ncccc1-c1ncnc2[nH]cnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H13Cl2F2N7O2S/c23-12-4-1-5-15(16(12)24)36(34,35)33-14-7-6-13(25)19(17(14)26)32-21-11(3-2-8-27-21)18-20-22(30-9-28-18)31-10-29-20/h1-10,33H,(H,27,32)(H,28,29,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OXDIFBAVMNZPAH-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