General Information of the Compound
| Compound ID |
CP0389266
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-chloro-2-fluoro-4-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H19ClF2N4O2S2
|
||||||||||||||||||
| Molecular Weight |
448.948
|
||||||||||||||||||
| Canonical SMILES |
F[C@H]1CN2CCC[C@@]2(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H19ClF2N4O2S2/c18-12-6-15(28(25,26)23-16-21-3-5-27-16)13(20)7-14(12)22-10-17-2-1-4-24(17)9-11(19)8-17/h3,5-7,11,22H,1-2,4,8-10H2,(H,21,23)/t11-,17+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CYADIXZUNKDWSB-DIFFPNOSSA-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