General Information of the Compound
| Compound ID |
CP0530666
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| Compound Name |
1-(2-(2-ethoxyphenyl)-1-(thiazol-2-yl)ethyl)piperazine
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| Structure |
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| Formula |
C17H23N3OS
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| Molecular Weight |
317.458
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| Canonical SMILES |
CCOc1ccccc1CC(N1CCNCC1)c1nccs1
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| InChI |
InChI=1S/C17H23N3OS/c1-2-21-16-6-4-3-5-14(16)13-15(17-19-9-12-22-17)20-10-7-18-8-11-20/h3-6,9,12,15,18H,2,7-8,10-11,13H2,1H3
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| InChIKey |
KURNFMGUSYWHLC-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