General Information of the Compound
| Compound ID |
CP0529752
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| Compound Name |
1-(2-(2-(methylsulfonyl)phenyl)-1-phenylethyl)piperazine
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| Structure |
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| Formula |
C19H24N2O2S
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| Molecular Weight |
344.48
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| Canonical SMILES |
CS(=O)(=O)c1ccccc1CC(N1CCNCC1)c1ccccc1
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| InChI |
InChI=1S/C19H24N2O2S/c1-24(22,23)19-10-6-5-9-17(19)15-18(16-7-3-2-4-8-16)21-13-11-20-12-14-21/h2-10,18,20H,11-15H2,1H3
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| InChIKey |
QJMPSMDQYHMYSR-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