General Information of the Compound
| Compound ID |
CP0525680
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| Compound Name |
N-methyl-1-[6-methyl-4-(2-methylsulfanylphenoxy)pyridin-3-yl]methanamine
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| Structure |
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| Formula |
C15H18N2OS
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| Molecular Weight |
274.389
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| Canonical SMILES |
CNCc1cnc(C)cc1Oc1ccccc1SC
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| InChI |
InChI=1S/C15H18N2OS/c1-11-8-14(12(9-16-2)10-17-11)18-13-6-4-5-7-15(13)19-3/h4-8,10,16H,9H2,1-3H3
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| InChIKey |
LZPBAUCREIASQQ-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