General Information of the Compound
| Compound ID |
CP0474700
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| Compound Name |
[(2R,5S)-5-[4-(5-fluoro-2-methoxyphenyl)butyl]oxolan-2-yl]methanamine
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| Structure |
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| Formula |
C16H24FNO2
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| Molecular Weight |
281.371
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| Canonical SMILES |
COc1ccc(F)cc1CCCC[C@H]1CC[C@H](CN)O1
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| InChI |
InChI=1S/C16H24FNO2/c1-19-16-9-6-13(17)10-12(16)4-2-3-5-14-7-8-15(11-18)20-14/h6,9-10,14-15H,2-5,7-8,11,18H2,1H3/t14-,15+/m0/s1
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| InChIKey |
XPMTXFPUXPYNCB-LSDHHAIUSA-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