General Information of the Compound
| Compound ID |
CP0564076
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9233953, 54
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22F2N4O3S
|
||||||||||||||||||
| Molecular Weight |
436.484
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1)C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1ncc(F)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22F2N4O3S/c21-16-3-1-14(2-4-16)18-13-25(20-23-11-17(22)12-24-20)7-8-26(18)19(27)15-5-9-30(28,29)10-6-15/h1-4,11-12,15,18H,5-10,13H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
KKQUICFTXVCJSU-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