General Information of the Compound
| Compound ID |
CP0471383
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| Compound Name |
1-[4-(2-bromo-4-chlorophenoxy)-6-methylpyridin-3-yl]-N-methylmethanamine
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| Structure |
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| Formula |
C14H14BrClN2O
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| Molecular Weight |
341.636
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| Canonical SMILES |
CNCc1cnc(C)cc1Oc1ccc(Cl)cc1Br
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| InChI |
InChI=1S/C14H14BrClN2O/c1-9-5-14(10(7-17-2)8-18-9)19-13-4-3-11(16)6-12(13)15/h3-6,8,17H,7H2,1-2H3
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| InChIKey |
NMHWBLJSIIETCI-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: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter