General Information of the Compound
| Compound ID |
CP0496807
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| Compound Name |
5-Methyl-2-(2-propylaminomethyl-phenylsulfanyl)-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 |
CCCNCc1ccccc1Sc1ccc(C)cc1N
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| InChI |
InChI=1S/C17H22N2S/c1-3-10-19-12-14-6-4-5-7-16(14)20-17-9-8-13(2)11-15(17)18/h4-9,11,19H,3,10,12,18H2,1-2H3
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| InChIKey |
GZRLZFDDKKLOGM-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