General Information of the Compound
| Compound ID |
CP0328621
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| Compound Name |
2-(2-chloro-5-fluorophenoxy)-3-(piperidin-4-yl)pyridine
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| Structure |
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| Formula |
C16H16ClFN2O
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| Molecular Weight |
306.768
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| Canonical SMILES |
Fc1ccc(Cl)c(Oc2ncccc2C2CCNCC2)c1
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| InChI |
InChI=1S/C16H16ClFN2O/c17-14-4-3-12(18)10-15(14)21-16-13(2-1-7-20-16)11-5-8-19-9-6-11/h1-4,7,10-11,19H,5-6,8-9H2
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| InChIKey |
HMSJPIAQQVBQMP-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