General Information of the Compound
| Compound ID |
CP0404680
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| Compound Name |
2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-ethyl-phenylamine
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| Structure |
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| Formula |
C17H22N2S
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| Molecular Weight |
286.444
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| Canonical SMILES |
CCc1ccc(Sc2ccccc2CN(C)C)c(N)c1
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| InChI |
InChI=1S/C17H22N2S/c1-4-13-9-10-17(15(18)11-13)20-16-8-6-5-7-14(16)12-19(2)3/h5-11H,4,12,18H2,1-3H3
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| InChIKey |
MUWHGPWUJGZMPM-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: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter