General Information of the Compound
| Compound ID |
CP0002366
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| Compound Name |
(2S,3S)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholin-2-ol
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| Synonyms |
Hydroxybupropion
Radafaxine
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| Structure |
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| Formula |
C13H18ClNO2
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| Molecular Weight |
255.745
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| Canonical SMILES |
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C13H18ClNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m0/s1
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| InChIKey |
RCOBKSKAZMVBHT-TVQRCGJNSA-N
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| CAS |
192374-14-4
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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: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter
Clinical Information about the Compound