General Information of the Compound
| Compound ID |
CP0386329
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| Compound Name |
3-[2-(3,4-dichlorophenyl)-2-(4-fluorophenoxy)ethyl]azetidine
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| Structure |
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| Formula |
C17H16Cl2FNO
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| Molecular Weight |
340.225
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| Canonical SMILES |
Fc1ccc(OC(CC2CNC2)c2ccc(Cl)c(Cl)c2)cc1
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| InChI |
InChI=1S/C17H16Cl2FNO/c18-15-6-1-12(8-16(15)19)17(7-11-9-21-10-11)22-14-4-2-13(20)3-5-14/h1-6,8,11,17,21H,7,9-10H2
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| InChIKey |
LTRGRJOIAIYRCQ-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