General Information of the Compound
| Compound ID |
CP0195065
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-N-(1-oxo-1-((3-(1-phenylcyclopropyl)-3H-imidazo[4,5-b]pyridin-2-yl)methylamino)-3-(2-(trifluoromethyl)phenyl)propan-2-yl)-1-(trifluoromethyl)cyclopropanecarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H27F6N5O2
|
||||||||||||||||||
| Molecular Weight |
615.578
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccccc1C[C@@H](NC(=O)C1(CC1)C(F)(F)F)C(=O)NCc1nc2cccnc2n1C1(CC1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H27F6N5O2/c32-30(33,34)21-10-5-4-7-19(21)17-23(41-27(44)28(12-13-28)31(35,36)37)26(43)39-18-24-40-22-11-6-16-38-25(22)42(24)29(14-15-29)20-8-2-1-3-9-20/h1-11,16,23H,12-15,17-18H2,(H,39,43)(H,41,44)/t23-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
TZRWXVQERJBYNA-HSZRJFAPSA-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: PT02752, Sodium channel protein type 10 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha