General Information of the Compound
| Compound ID |
CP0417771
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| Compound Name |
2-[(2R,5R)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]ethanamine
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| Structure |
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| Formula |
C14H20FNO2
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| Molecular Weight |
253.317
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| Canonical SMILES |
COc1ccc(F)cc1C[C@H]1CC[C@H](CCN)O1
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| InChI |
InChI=1S/C14H20FNO2/c1-17-14-5-2-11(15)8-10(14)9-13-4-3-12(18-13)6-7-16/h2,5,8,12-13H,3-4,6-7,9,16H2,1H3/t12-,13-/m1/s1
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| InChIKey |
PJDWTDSVCNJUGD-CHWSQXEVSA-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