General Information of the Compound
| Compound ID |
CP0490784
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| Compound Name |
2-(2-Ethylaminomethyl-phenylsulfanyl)-5-methyl-phenylamine
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| Structure |
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| Formula |
C16H20N2S
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| Molecular Weight |
272.417
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| Canonical SMILES |
CCNCc1ccccc1Sc1ccc(C)cc1N
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| InChI |
InChI=1S/C16H20N2S/c1-3-18-11-13-6-4-5-7-15(13)19-16-9-8-12(2)10-14(16)17/h4-10,18H,3,11,17H2,1-2H3
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| InChIKey |
BXZSHOGOEKAIFQ-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