General Information of the Compound
| Compound ID |
CP0418608
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| Compound Name |
1-(2-((3-fluorophenoxy)methyl)phenyl)piperazine
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| Synonyms |
1-(2-((3-fluorophenoxy)methyl)phenyl)piperazine
CHEMBL575700
SCHEMBL2191560
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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 |
Fc1cccc(OCc2ccccc2N2CCNCC2)c1
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| InChI |
InChI=1S/C17H19FN2O/c18-15-5-3-6-16(12-15)21-13-14-4-1-2-7-17(14)20-10-8-19-9-11-20/h1-7,12,19H,8-11,13H2
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| InChIKey |
IGKKFJKUWPDJDR-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
Clinical Information about the Compound