General Information of the Compound
| Compound ID |
CP0535381
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| Compound Name |
N-[(3,3-diphenyl-1,4-dioxan-2-yl)methyl]-2-(2-methoxyphenoxy)ethanamine
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| Structure |
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| Formula |
C26H29NO4
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| Molecular Weight |
419.521
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| Canonical SMILES |
COc1ccccc1OCCNCC1OCCOC1(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C26H29NO4/c1-28-23-14-8-9-15-24(23)29-17-16-27-20-25-26(31-19-18-30-25,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,25,27H,16-20H2,1H3
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| InChIKey |
XPLYYMRQGCFSNB-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
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor