General Information of the Compound
| Compound ID |
CP0500330
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL2163357
Show/Hide
|
||||||||||||||||||
| Formula |
C24H22F3N3O3
|
||||||||||||||||||
| Molecular Weight |
457.452
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)Oc1ccc(CNC(=O)C2N([C@H]3CC[C@@H](CC3)C#N)C(=O)c3ccccc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H22F3N3O3/c25-24(26,27)33-18-11-7-16(8-12-18)14-29-22(31)21-19-3-1-2-4-20(19)23(32)30(21)17-9-5-15(13-28)6-10-17/h1-4,7-8,11-12,15,17,21H,5-6,9-10,14H2,(H,29,31)/t15-,17-,21?
Show/Hide
|
||||||||||||||||||
| InChIKey |
LBDXGWAJBUSGFW-DVUVRWKGSA-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha