General Information of the Compound
| Compound ID |
CP0421815
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| Compound Name |
1-(2-methoxyphenyl)-4-[(2-phenyl-1,4-dioxan-2-yl)methyl]piperazine
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| Structure |
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| Formula |
C22H28N2O3
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| Molecular Weight |
368.477
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| Canonical SMILES |
COc1ccccc1N1CCN(CC2(COCCO2)c2ccccc2)CC1
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| InChI |
InChI=1S/C22H28N2O3/c1-25-21-10-6-5-9-20(21)24-13-11-23(12-14-24)17-22(18-26-15-16-27-22)19-7-3-2-4-8-19/h2-10H,11-18H2,1H3
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| InChIKey |
FUAVCRFBSAKQCJ-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: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor