General Information of the Compound
| Compound ID |
CP0474528
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9120756, 137
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H28F4N4O3S
|
||||||||||||||||||
| Molecular Weight |
504.55
|
||||||||||||||||||
| Canonical SMILES |
CC(C(=O)NCc1cc(nn1C1CCCCC1)C(F)(F)F)c1ccc(CNS(C)(=O)=O)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H28F4N4O3S/c1-14(15-8-9-16(19(23)10-15)12-28-34(2,32)33)21(31)27-13-18-11-20(22(24,25)26)29-30(18)17-6-4-3-5-7-17/h8-11,14,17,28H,3-7,12-13H2,1-2H3,(H,27,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QXCGQFCARINXCC-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