General Information of the Compound
| Compound ID |
CP0431235
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| Compound Name |
2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-(2-fluoro-ethyl)-phenylamine
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| Structure |
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| Formula |
C17H21FN2S
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| Molecular Weight |
304.434
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| Canonical SMILES |
CN(C)Cc1ccccc1Sc1ccc(CCF)cc1N
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| InChI |
InChI=1S/C17H21FN2S/c1-20(2)12-14-5-3-4-6-16(14)21-17-8-7-13(9-10-18)11-15(17)19/h3-8,11H,9-10,12,19H2,1-2H3
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| InChIKey |
LOONKLFFRKQSJD-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