General Information of the Compound
| Compound ID |
CP0539631
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8952169, 262
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28F3NO4S
|
||||||||||||||||||
| Molecular Weight |
483.552
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(OCC23CC4CC(C2)C(F)(F)C(C4)C3)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28F3NO4S/c25-20-8-21(32-12-23-9-13-5-15(10-23)24(26,27)16(6-13)11-23)18(14-1-2-14)7-19(20)22(29)28-33(30,31)17-3-4-17/h7-8,13-17H,1-6,9-12H2,(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ADMLHCZRKYFTCM-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
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha