General Information of the Compound
| Compound ID |
CP0373782
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| Compound Name |
2-(3,5-dimethoxyphenoxy)-N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]ethanamine
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| Structure |
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| Formula |
C26H29NO5
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| Molecular Weight |
435.52
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| Canonical SMILES |
COc1cc(OC)cc(OCCNCC2COC(O2)(c2ccccc2)c2ccccc2)c1
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| InChI |
InChI=1S/C26H29NO5/c1-28-22-15-23(29-2)17-24(16-22)30-14-13-27-18-25-19-31-26(32-25,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,15-17,25,27H,13-14,18-19H2,1-2H3
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| InChIKey |
IWORSPYCCXFFAN-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