General Information of the Compound
| Compound ID |
CP0541470
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-chloro-2-(2-chloro-4-fluorophenoxy)-5-[4-[5-(cyclopropylmethylsulfonyl)-1H-1,2,4-triazol-3-yl]-2,5-difluorophenyl]pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H15Cl2F3N4O3S
|
||||||||||||||||||
| Molecular Weight |
555.365
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(Oc2ncc(cc2Cl)-c2cc(F)c(cc2F)-c2nnc([nH]2)S(=O)(=O)CC2CC2)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H15Cl2F3N4O3S/c24-16-6-13(26)3-4-20(16)35-22-17(25)5-12(9-29-22)14-7-19(28)15(8-18(14)27)21-30-23(32-31-21)36(33,34)10-11-1-2-11/h3-9,11H,1-2,10H2,(H,30,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WQDSTRSXRJYKJI-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