General Information of the Compound
| Compound ID |
CP0504324
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| Compound Name |
(2-(4-(methylthio)benzyl)phenyl)-N-methylmethanamine
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| Structure |
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| Formula |
C16H19NS
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| Molecular Weight |
257.402
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| Canonical SMILES |
CNCc1ccccc1Cc1ccc(SC)cc1
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| InChI |
InChI=1S/C16H19NS/c1-17-12-15-6-4-3-5-14(15)11-13-7-9-16(18-2)10-8-13/h3-10,17H,11-12H2,1-2H3
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| InChIKey |
GVAGNJNCGNKLIE-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