General Information of the Compound
| Compound ID |
CP0399522
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[2-(dimethylamino)ethyl]-N-(4-fluorophenyl)-5-(4-methylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H29FN4O
|
||||||||||||||||||
| Molecular Weight |
444.554
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCC1(CC(=NN1C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccc(C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29FN4O/c1-20-9-11-22(12-10-20)27(17-18-31(2)3)19-25(21-7-5-4-6-8-21)30-32(27)26(33)29-24-15-13-23(28)14-16-24/h4-16H,17-19H2,1-3H3,(H,29,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HTVBTRMJTNKQJV-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: PT01102, Voltage-dependent L-type calcium channel subunit alpha-1C
Protein ID: PT04557, Voltage-dependent T-type calcium channel subunit alpha-1H