General Information of the Compound
| Compound ID |
CP0054655
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| Compound Name |
3-[2-(4-chloro-3-fluorophenyl)-2-(2-fluorophenoxy)ethyl]azetidine
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| Structure |
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| Formula |
C17H16ClF2NO
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| Molecular Weight |
323.77
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| Canonical SMILES |
Fc1ccccc1OC(CC1CNC1)c1ccc(Cl)c(F)c1
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| InChI |
InChI=1S/C17H16ClF2NO/c18-13-6-5-12(8-15(13)20)17(7-11-9-21-10-11)22-16-4-2-1-3-14(16)19/h1-6,8,11,17,21H,7,9-10H2
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| InChIKey |
GVIKXRIOBFGDFP-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter