General Information of the Compound
| Compound ID |
CP0427825
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| Compound Name |
N,N-dimethyl-1-[6-methyl-4-(2-methylsulfanylphenoxy)pyridin-3-yl]methanamine
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| Structure |
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| Formula |
C16H20N2OS
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| Molecular Weight |
288.416
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| Canonical SMILES |
CSc1ccccc1Oc1cc(C)ncc1CN(C)C
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| InChI |
InChI=1S/C16H20N2OS/c1-12-9-15(13(10-17-12)11-18(2)3)19-14-7-5-6-8-16(14)20-4/h5-10H,11H2,1-4H3
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| InChIKey |
WFOBTVZPUZNUSA-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