General Information of the Compound
| Compound ID |
CP0471781
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-chloro-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]-5-(trifluoromethyl)-4,5,6,7-tetrahydroisoindole-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H26ClF3N2O2
|
||||||||||||||||||
| Molecular Weight |
442.909
|
||||||||||||||||||
| Canonical SMILES |
CC(C)COc1ccccc1CNC(=O)c1c2CCC(Cc2c(Cl)n1C)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26ClF3N2O2/c1-13(2)12-30-18-7-5-4-6-14(18)11-27-21(29)19-16-9-8-15(22(24,25)26)10-17(16)20(23)28(19)3/h4-7,13,15H,8-12H2,1-3H3,(H,27,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AVVFVXNCHROTFK-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