General Information of the Compound
| Compound ID |
CP0564395
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9120756, 134
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H23ClF4N4O3S
|
||||||||||||||||||
| Molecular Weight |
546.974
|
||||||||||||||||||
| Canonical SMILES |
CC(C(=O)NCc1c(C)c(nn1-c1cccc(Cl)c1)C(F)(F)F)c1ccc(CNS(C)(=O)=O)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23ClF4N4O3S/c1-13(15-7-8-16(19(25)9-15)11-30-36(3,34)35)22(33)29-12-20-14(2)21(23(26,27)28)31-32(20)18-6-4-5-17(24)10-18/h4-10,13,30H,11-12H2,1-3H3,(H,29,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GYIPJSXLAKWECL-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