General Information of the Compound
| Compound ID |
CP0046806
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| Compound Name |
(3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine
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| Synonyms |
Paroxetine
Seroxat (TN)
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| Structure |
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| Formula |
C19H20FNO3
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| Molecular Weight |
329.371
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| Canonical SMILES |
Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
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| InChI |
InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
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| InChIKey |
AHOUBRCZNHFOSL-YOEHRIQHSA-N
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| CAS |
63952-24-9
110429-35-1
61869-08-7
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| 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
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02377, Beta-adrenergic receptor kinase 1
Protein ID: PT00817, Cytochrome P450 2D6
Protein ID: PT02908, P2X purinoceptor 4
Protein ID: PT03084, P2X purinoceptor 4
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter
Cell-based Assay
Protein ID: PT01410, Substance-P receptor
Clinical Information about the Compound