General Information of the Compound
| Compound ID |
CP0874185
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| Compound Name |
2-(4-{2-[2-(2,3,5-Trimethylphenoxy)ethoxy]ethyl}piperazin-1-yl)ethanol dihydrochloride
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| Structure |
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| Formula |
C19H34Cl2N2O3
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| Molecular Weight |
409.398
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| Canonical SMILES |
Cc1cc(C)c(C)c(OCCOCCN2CCN(CCO)CC2)c1.Cl.Cl
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| InChI |
InChI=1S/C19H32N2O3.2ClH/c1-16-14-17(2)18(3)19(15-16)24-13-12-23-11-9-21-6-4-20(5-7-21)8-10-22;;/h14-15,22H,4-13H2,1-3H3;2*1H
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| InChIKey |
REUGVMGBYVSAJX-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7