Standard InChI: InChI=1S/C18H23F2NO/c1-21-9-8-18-7-3-2-4-14(18)16(21)10-12-5-6-13(11-15(12)18)22-17(19)20/h5-6,11,14,16-17H,2-4,7-10H2,1H3/t14-,16+,18+/m1/s1
Standard InChI Key: HXOIJVCEWHZPBJ-HFTRVMKXSA-N
Associated Targets(Human)
Norepinephrine transporter 10102 Activities
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Serotonin transporter 12625 Activities
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Glutamate [NMDA] receptor 933 Activities
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Sigma intracellular receptor 2 973 Activities
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Sigma opioid receptor 6358 Activities
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HERG 29587 Activities
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Molecule Features
Natural Product: No
Oral: No
Chemical Probe: No
Parenteral: No
Molecule Type: Unknown
Topical: No
First In Class: No
Black Box: No
Chirality: No
Availability: No
Prodrug: No
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Properties
Molecular Weight: 307.38
Molecular Weight (Monoisotopic): 307.1748
AlogP: 3.98
#Rotatable Bonds: 2
Polar Surface Area: 12.47
Molecular Species: BASE
HBA: 2
HBD: 0
#RO5 Violations: 0
HBA (Lipinski): 2
HBD (Lipinski): 0
#RO5 Violations (Lipinski): 0
CX Acidic pKa:
CX Basic pKa: 9.81
CX LogP: 4.42
CX LogD: 2.05
Aromatic Rings: 1
Heavy Atoms: 22
QED Weighted: 0.82
Np Likeness Score: 0.38
References
1.Sorrentino JP, Altman RA.. (2022) Fluoroalkylation of Dextromethorphan Improves CNS Exposure and Metabolic Stability., 13 (4.0):[PMID:35450379][10.1021/acsmedchemlett.2c00055]
