General Information of the Compound
| Compound ID |
CP0456749
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl 4-[3-oxo-1-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]-1H-isoindol-2-yl]piperidine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H30F3N3O5
|
||||||||||||||||||
| Molecular Weight |
533.547
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)N1C(C(=O)NCc2ccc(OC(F)(F)F)cc2)c2ccccc2C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H30F3N3O5/c1-26(2,3)38-25(36)32-14-12-18(13-15-32)33-22(20-6-4-5-7-21(20)24(33)35)23(34)31-16-17-8-10-19(11-9-17)37-27(28,29)30/h4-11,18,22H,12-16H2,1-3H3,(H,31,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QGNZOANCXQXMOT-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha