General Information of the Compound
| Compound ID |
CP0455248
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| Compound Name |
3-[piperidin-4-yl-[2-(trifluoromethoxy)phenoxy]methyl]pyridine
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| Structure |
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| Formula |
C18H19F3N2O2
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| Molecular Weight |
352.356
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| Canonical SMILES |
FC(F)(F)Oc1ccccc1OC(C1CCNCC1)c1cccnc1
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| InChI |
InChI=1S/C18H19F3N2O2/c19-18(20,21)25-16-6-2-1-5-15(16)24-17(13-7-10-22-11-8-13)14-4-3-9-23-12-14/h1-6,9,12-13,17,22H,7-8,10-11H2
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| InChIKey |
PUMRLCALOZDUIE-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