General Information of the Compound
| Compound ID |
CP0471372
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| Compound Name |
1-[4-(2-bromo-4-chlorophenoxy)pyridin-3-yl]-N-methylmethanamine
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| Structure |
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| Formula |
C13H12BrClN2O
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| Molecular Weight |
327.609
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| Canonical SMILES |
CNCc1cnccc1Oc1ccc(Cl)cc1Br
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| InChI |
InChI=1S/C13H12BrClN2O/c1-16-7-9-8-17-5-4-12(9)18-13-3-2-10(15)6-11(13)14/h2-6,8,16H,7H2,1H3
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| InChIKey |
XWGDWRZGNMYDDL-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