General Information of the Compound
| Compound ID |
CP0476828
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-bromo-1,5-diphenyl-N-[[3-(2,2,2-trifluoroethoxy)pyridin-2-yl]methyl]pyrazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H18BrF3N4O2
|
||||||||||||||||||
| Molecular Weight |
531.332
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)COc1cccnc1CNC(=O)c1nn(c(c1Br)-c1ccccc1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H18BrF3N4O2/c25-20-21(23(33)30-14-18-19(12-7-13-29-18)34-15-24(26,27)28)31-32(17-10-5-2-6-11-17)22(20)16-8-3-1-4-9-16/h1-13H,14-15H2,(H,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AGZJMVDKUBDXAK-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