General Information of the Compound
| Compound ID |
CP0213887
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| Compound Name |
3-[2-(4-chloro-3-fluorophenyl)-2-(2-methylphenoxy)ethyl]azetidine
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| Structure |
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| Formula |
C18H19ClFNO
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| Molecular Weight |
319.807
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| Canonical SMILES |
Cc1ccccc1OC(CC1CNC1)c1ccc(Cl)c(F)c1
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| InChI |
InChI=1S/C18H19ClFNO/c1-12-4-2-3-5-17(12)22-18(8-13-10-21-11-13)14-6-7-15(19)16(20)9-14/h2-7,9,13,18,21H,8,10-11H2,1H3
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| InChIKey |
AVYVBCVILBXGLV-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