General Information of the Compound
| Compound ID |
CP0873149
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| Compound Name |
1-(2-Methoxyphenyl)-4-{2-[2-(2,3,5-trimethylphenoxy)ethoxy]ethyl}piperazine dihydrochloride
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| Structure |
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| Formula |
C24H36Cl2N2O3
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| Molecular Weight |
471.469
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| Canonical SMILES |
COc1ccccc1N1CCN(CCOCCOc2cc(C)cc(C)c2C)CC1.Cl.Cl
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| InChI |
InChI=1S/C24H34N2O3.2ClH/c1-19-17-20(2)21(3)24(18-19)29-16-15-28-14-13-25-9-11-26(12-10-25)22-7-5-6-8-23(22)27-4;;/h5-8,17-18H,9-16H2,1-4H3;2*1H
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| InChIKey |
BKAPUHZAVMXBQP-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01005, D(2) dopamine receptor