General Information of the Compound
| Compound ID |
CP0452260
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(3S)-5-(2-methoxypyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H21F3N4O4
|
||||||||||||||||||
| Molecular Weight |
474.439
|
||||||||||||||||||
| Canonical SMILES |
COc1ncc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCCC(F)(F)F)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21F3N4O4/c1-32-22-28-11-15(12-29-22)17-3-2-4-19-18(17)9-16(13-34-19)30-21(31)14-5-6-20(27-10-14)33-8-7-23(24,25)26/h2-6,10-12,16H,7-9,13H2,1H3,(H,30,31)/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NLLYXEPGGVAVHY-INIZCTEOSA-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