General Information of the Compound
| Compound ID |
CP0446508
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| Compound Name |
1-(2-(2,6-dichlorophenyl)-1-phenylethyl)piperazine
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| Structure |
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| Formula |
C18H20Cl2N2
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| Molecular Weight |
335.278
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| Canonical SMILES |
Clc1cccc(Cl)c1CC(N1CCNCC1)c1ccccc1
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| InChI |
InChI=1S/C18H20Cl2N2/c19-16-7-4-8-17(20)15(16)13-18(14-5-2-1-3-6-14)22-11-9-21-10-12-22/h1-8,18,21H,9-13H2
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| InChIKey |
QYPSCQLKEMPYGY-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