General Information of the Compound
| Compound ID |
CP0476371
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| Compound Name |
3-((dimethylamino)methyl)-4-(4-(methylsulfinyl)phenoxy)benzenesulfonamide
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| Structure |
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| Formula |
C16H20N2O4S2
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| Molecular Weight |
368.48
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| Canonical SMILES |
CN(C)Cc1cc(ccc1Oc1ccc(cc1)S(C)=O)S(N)(=O)=O
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| InChI |
InChI=1S/C16H20N2O4S2/c1-18(2)11-12-10-15(24(17,20)21)8-9-16(12)22-13-4-6-14(7-5-13)23(3)19/h4-10H,11H2,1-3H3,(H2,17,20,21)
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| InChIKey |
JOQTYFCRRMFQJX-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