General Information of the Compound
| Compound ID |
CP0477386
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H15F5N4O2
|
||||||||||||||||||
| Molecular Weight |
426.345
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(Cn2ccc(NC(=O)Cc3ccc(OCC(F)(F)F)nc3)n2)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H15F5N4O2/c20-14-3-1-13(7-15(14)21)10-28-6-5-16(27-28)26-17(29)8-12-2-4-18(25-9-12)30-11-19(22,23)24/h1-7,9H,8,10-11H2,(H,26,27,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JQAPPDSVWXLUJA-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: PT03095, Voltage-dependent T-type calcium channel subunit alpha-1G
Protein ID: PT04557, Voltage-dependent T-type calcium channel subunit alpha-1H
Protein ID: PT02881, Voltage-dependent T-type calcium channel subunit alpha-1I