General Information of the Compound
| Compound ID |
CP0902025
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| Compound Name |
1-{2-[2-(Mesityloxy)ethoxy]ethyl}-4-phenethylpiperazine dihydrochloride
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| Structure |
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| Formula |
C25H38Cl2N2O2
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| Molecular Weight |
469.497
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| Canonical SMILES |
Cc1cc(C)c(OCCOCCN2CCN(CCc3ccccc3)CC2)c(C)c1.Cl.Cl
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| InChI |
InChI=1S/C25H36N2O2.2ClH/c1-21-19-22(2)25(23(3)20-21)29-18-17-28-16-15-27-13-11-26(12-14-27)10-9-24-7-5-4-6-8-24;;/h4-8,19-20H,9-18H2,1-3H3;2*1H
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| InChIKey |
CMFIQOOGQZGPGK-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