General Information of the Compound
| Compound ID |
CP0455786
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-chloro-N-[[3-[(3S)-3-fluoropyrrolidin-1-yl]pyridin-2-yl]methyl]-2,5,5-trimethyl-6,7-dihydro-4H-isoindole-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H28ClFN4O
|
||||||||||||||||||
| Molecular Weight |
418.944
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(Cl)c2CC(C)(C)CCc2c1C(=O)NCc1ncccc1N1CC[C@H](F)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H28ClFN4O/c1-22(2)8-6-15-16(11-22)20(23)27(3)19(15)21(29)26-12-17-18(5-4-9-25-17)28-10-7-14(24)13-28/h4-5,9,14H,6-8,10-13H2,1-3H3,(H,26,29)/t14-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HOOUZQRGVVLXOC-AWEZNQCLSA-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