General Information of the Compound
| Compound ID |
CP0442940
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9233953, 29
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22F3N3O3S
|
||||||||||||||||||
| Molecular Weight |
453.486
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(nc1)N1CCN(C(C1)c1ccc(F)c(F)c1)C(=O)C1CCS(=O)(=O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22F3N3O3S/c22-16-2-4-20(25-12-16)26-7-8-27(21(28)14-5-9-31(29,30)10-6-14)19(13-26)15-1-3-17(23)18(24)11-15/h1-4,11-12,14,19H,5-10,13H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
UOGDPSJQXZGRGE-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