General Information of the Compound
| Compound ID |
CP0373781
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| Compound Name |
N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-2-(2-methylphenoxy)ethanamine
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| Structure |
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| Formula |
C25H27NO3
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| Molecular Weight |
389.495
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| Canonical SMILES |
Cc1ccccc1OCCNCC1COC(O1)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C25H27NO3/c1-20-10-8-9-15-24(20)27-17-16-26-18-23-19-28-25(29-23,21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-15,23,26H,16-19H2,1H3
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| InChIKey |
GTSXERKGHGFELV-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