General Information of the Compound
| Compound ID |
CP0434680
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| Compound Name |
2-(2,6-dimethoxyphenoxy)-N-[(2-phenyl-1,4-dioxan-2-yl)methyl]ethanamine
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| Structure |
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| Formula |
C21H27NO5
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| Molecular Weight |
373.449
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| Canonical SMILES |
COc1cccc(OC)c1OCCNCC1(COCCO1)c1ccccc1
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| InChI |
InChI=1S/C21H27NO5/c1-23-18-9-6-10-19(24-2)20(18)26-12-11-22-15-21(16-25-13-14-27-21)17-7-4-3-5-8-17/h3-10,22H,11-16H2,1-2H3
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| InChIKey |
HMEASZSDPGDKQU-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