General Information of the Compound
| Compound ID |
CP0438748
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| Compound Name |
4-(2-(3,4-dichlorobenzyloxy)-5-fluorophenyl)piperidine
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| Structure |
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| Formula |
C18H18Cl2FNO
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| Molecular Weight |
354.252
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| Canonical SMILES |
Fc1ccc(OCc2ccc(Cl)c(Cl)c2)c(c1)C1CCNCC1
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| InChI |
InChI=1S/C18H18Cl2FNO/c19-16-3-1-12(9-17(16)20)11-23-18-4-2-14(21)10-15(18)13-5-7-22-8-6-13/h1-4,9-10,13,22H,5-8,11H2
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| InChIKey |
ROZQUSZIXUCKCC-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter