General Information of the Compound
| Compound ID |
CP0004172
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| Compound Name |
(2S,3S)-2-(3,4-Difluorophenyl)-3,5,5-trimethylmorpholin-2-ol
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| Structure |
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| Formula |
C13H17F2NO2
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| Molecular Weight |
257.28
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| Canonical SMILES |
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C13H17F2NO2/c1-8-13(17,18-7-12(2,3)16-8)9-4-5-10(14)11(15)6-9/h4-6,8,16-17H,7H2,1-3H3/t8-,13+/m0/s1
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| InChIKey |
LHPUYZQFWLLHPT-ISVAXAHUSA-N
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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