Standard InChI: InChI=1S/C22H27NO2/c24-19-12-14-23(16-19)21-10-3-4-11-22(21)25-15-13-18-8-5-7-17-6-1-2-9-20(17)18/h1-2,5-9,21-22H,3-4,10-16H2/t21-,22-/m0/s1
Standard InChI Key: OCJAMRRVVABJIC-VXKWHMMOSA-N
Associated Targets(Human)
Sodium channel protein type V alpha subunit 3462 Activities
Potassium voltage-gated channel subfamily D member 2 8 Activities
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Potassium voltage-gated channel subfamily B member 1 9 Activities
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Molecule Features
Natural Product: No
Oral: No
Chemical Probe: No
Parenteral: No
Molecule Type: Small molecule
Topical: No
First In Class: No
Black Box: No
Chirality: No
Availability: No
Prodrug: No
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Properties
Molecular Weight: 337.46
Molecular Weight (Monoisotopic): 337.2042
AlogP: 3.98
#Rotatable Bonds: 5
Polar Surface Area: 29.54
Molecular Species: NEUTRAL
HBA: 3
HBD: 0
#RO5 Violations: 0
HBA (Lipinski): 3
HBD (Lipinski): 0
#RO5 Violations (Lipinski): 0
CX Acidic pKa:
CX Basic pKa: 6.47
CX LogP: 4.31
CX LogD: 4.26
Aromatic Rings: 2
Heavy Atoms: 25
QED Weighted: 0.83
Np Likeness Score: 0.30
References
1.Plouvier B, Beatch GN, Jung GL, Zolotoy A, Sheng T, Clohs L, Barrett TD, Fedida D, Wang WQ, Zhu JJ, Liu Y, Abraham S, Lynn L, Dong Y, Wall RA, Walker MJ.. (2007) Synthesis and biological studies of novel 2-aminoalkylethers as potential antiarrhythmic agents for the conversion of atrial fibrillation., 50 (12):[PMID:17506538][10.1021/jm0604528]
