General Information of the Compound
| Compound ID |
CP0372830
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| Compound Name |
2-(Aminomethyl)-5-(3'-pyridinylethyl)tetrahydrofuran
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| Structure |
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| Formula |
C12H18N2O
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| Molecular Weight |
206.289
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| Canonical SMILES |
NCC1CCC(CCc2cccnc2)O1
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| InChI |
InChI=1S/C12H18N2O/c13-8-12-6-5-11(15-12)4-3-10-2-1-7-14-9-10/h1-2,7,9,11-12H,3-6,8,13H2
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| InChIKey |
LCUQDUYHYRSPMJ-UHFFFAOYSA-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