General Information of the Compound
| Compound ID |
CP0484161
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| Compound Name |
2-{2-[(2-Fluoro-ethylamino)-methyl]-phenylsulfanyl}-5-methyl-phenylamine
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| Structure |
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| Formula |
C16H19FN2S
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| Molecular Weight |
290.407
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| Canonical SMILES |
Cc1ccc(Sc2ccccc2CNCCF)c(N)c1
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| InChI |
InChI=1S/C16H19FN2S/c1-12-6-7-16(14(18)10-12)20-15-5-3-2-4-13(15)11-19-9-8-17/h2-7,10,19H,8-9,11,18H2,1H3
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| InChIKey |
OGVZXKWRLUGGKA-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