General Information of the Compound
| Compound ID |
CP0387620
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| Compound Name |
3-[(2-ethoxyphenoxy)-piperidin-4-ylmethyl]pyridine
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| Structure |
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| Formula |
C19H24N2O2
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| Molecular Weight |
312.413
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| Canonical SMILES |
CCOc1ccccc1OC(C1CCNCC1)c1cccnc1
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| InChI |
InChI=1S/C19H24N2O2/c1-2-22-17-7-3-4-8-18(17)23-19(15-9-12-20-13-10-15)16-6-5-11-21-14-16/h3-8,11,14-15,19-20H,2,9-10,12-13H2,1H3
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| InChIKey |
XXHZUORXKGMGAL-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