General Information of the Compound
| Compound ID |
CP0085972
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-chloro-2,5,5-trimethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-6,7-dihydro-4H-isoindole-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H31ClN2O2
|
||||||||||||||||||
| Molecular Weight |
402.966
|
||||||||||||||||||
| Canonical SMILES |
CC(C)OCc1ccccc1CNC(=O)c1c2CCC(C)(C)Cc2c(Cl)n1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H31ClN2O2/c1-15(2)28-14-17-9-7-6-8-16(17)13-25-22(27)20-18-10-11-23(3,4)12-19(18)21(24)26(20)5/h6-9,15H,10-14H2,1-5H3,(H,25,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MXPIHVJVTXGYGQ-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