General Information of the Compound
| Compound ID |
CP0370033
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4083450
Show/Hide
|
||||||||||||||||||
| Formula |
C25H28F2N4O3S2
|
||||||||||||||||||
| Molecular Weight |
534.654
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(c(F)cc1OCC[C@]1(CC[C@@H](CC1)NC1CC1)c1ccccc1)S(=O)(=O)Nc1ncns1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28F2N4O3S2/c26-20-15-23(36(32,33)31-24-28-16-29-35-24)21(27)14-22(20)34-13-12-25(17-4-2-1-3-5-17)10-8-19(9-11-25)30-18-6-7-18/h1-5,14-16,18-19,30H,6-13H2,(H,28,29,31)/t19-,25+
Show/Hide
|
||||||||||||||||||
| InChIKey |
HBEHFCQVYTUQRI-KJDSRRNHSA-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 | |||||||||||||||||||
| 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