General Information of the Compound
| Compound ID |
CP0444670
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| Compound Name |
N-[3-[(dimethylamino)methyl]-4-(4-methylsulfanylphenyl)sulfanylphenyl]methanesulfonamide
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| Structure |
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| Formula |
C17H22N2O2S3
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| Molecular Weight |
382.576
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| Canonical SMILES |
CSc1ccc(Sc2ccc(NS(C)(=O)=O)cc2CN(C)C)cc1
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| InChI |
InChI=1S/C17H22N2O2S3/c1-19(2)12-13-11-14(18-24(4,20)21)5-10-17(13)23-16-8-6-15(22-3)7-9-16/h5-11,18H,12H2,1-4H3
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| InChIKey |
WNTGIUMXZUDPIG-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