General Information of the Compound
| Compound ID |
CP0493581
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| Compound Name |
2-(2-((dimethylamino)methyl)-4-(methoxy)phenylthio)benzenamine
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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 |
COc1ccc(Sc2ccccc2N)c(CN(C)C)c1
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| InChI |
InChI=1S/C16H20N2OS/c1-18(2)11-12-10-13(19-3)8-9-15(12)20-16-7-5-4-6-14(16)17/h4-10H,11,17H2,1-3H3
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| InChIKey |
SZDGGXPDQJKRHQ-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