General Information of the Compound
| Compound ID |
CP0568717
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]ethyl]-2-(4-propan-2-ylphenyl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25F2N3O
|
||||||||||||||||||
| Molecular Weight |
397.469
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1ccc(CC(=O)NC(C)c2ccn(Cc3ccc(F)c(F)c3)n2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25F2N3O/c1-15(2)19-7-4-17(5-8-19)13-23(29)26-16(3)22-10-11-28(27-22)14-18-6-9-20(24)21(25)12-18/h4-12,15-16H,13-14H2,1-3H3,(H,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HOGFUDSYCIPQTO-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