General Information of the Compound
| Compound ID |
CP0444645
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| Compound Name |
3-((dimethylamino)methyl)-4-(3-(trifluoromethyl)phenylthio)benzenesulfonamide
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| Structure |
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| Formula |
C16H17F3N2O2S2
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| Molecular Weight |
390.452
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| Canonical SMILES |
CN(C)Cc1cc(ccc1Sc1cccc(c1)C(F)(F)F)S(N)(=O)=O
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| InChI |
InChI=1S/C16H17F3N2O2S2/c1-21(2)10-11-8-14(25(20,22)23)6-7-15(11)24-13-5-3-4-12(9-13)16(17,18)19/h3-9H,10H2,1-2H3,(H2,20,22,23)
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| InChIKey |
ZMMDUENTAOWDLQ-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