General Information of the Compound
| Compound ID |
CP0341712
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| Compound Name |
2-(2-fluoro-4-methylphenoxy)-3-(piperidin-4-yl)pyridine
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| Structure |
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| Formula |
C17H19FN2O
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| Molecular Weight |
286.35
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| Canonical SMILES |
Cc1ccc(Oc2ncccc2C2CCNCC2)c(F)c1
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| InChI |
InChI=1S/C17H19FN2O/c1-12-4-5-16(15(18)11-12)21-17-14(3-2-8-20-17)13-6-9-19-10-7-13/h2-5,8,11,13,19H,6-7,9-10H2,1H3
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| InChIKey |
QNOVJSGRCXZVAL-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