General Information of the Compound
| Compound ID |
CP0534565
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,5,5-trimethyl-N-[[2-(2,2,2-trifluoroethoxy)pyridin-3-yl]methyl]-3-(trifluoromethyl)-6,7-dihydro-4H-isoindole-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23F6N3O2
|
||||||||||||||||||
| Molecular Weight |
463.422
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(C(=O)NCc2cccnc2OCC(F)(F)F)c2CCC(C)(C)Cc2c1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23F6N3O2/c1-19(2)7-6-13-14(9-19)16(21(25,26)27)30(3)15(13)17(31)29-10-12-5-4-8-28-18(12)32-11-20(22,23)24/h4-5,8H,6-7,9-11H2,1-3H3,(H,29,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PDUDKACBOWTICF-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