General Information of the Compound
| Compound ID |
CP0418570
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| Compound Name |
3-((dimethylamino)methyl)-N-methyl-4-(4-(methylsulfinyl)phenoxy)benzenesulfonamide
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| Structure |
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| Formula |
C17H22N2O4S2
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| Molecular Weight |
382.507
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| Canonical SMILES |
CNS(=O)(=O)c1ccc(Oc2ccc(cc2)S(C)=O)c(CN(C)C)c1
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| InChI |
InChI=1S/C17H22N2O4S2/c1-18-25(21,22)16-9-10-17(13(11-16)12-19(2)3)23-14-5-7-15(8-6-14)24(4)20/h5-11,18H,12H2,1-4H3
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| InChIKey |
ROTSFLNCGRVNJJ-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