General Information of the Compound
| Compound ID |
CP0373751
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| Compound Name |
N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-2-(2-phenylphenoxy)ethanamine
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| Structure |
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| Formula |
C30H29NO3
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| Molecular Weight |
451.566
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| Canonical SMILES |
C(COc1ccccc1-c1ccccc1)NCC1COC(O1)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C30H29NO3/c1-4-12-24(13-5-1)28-18-10-11-19-29(28)32-21-20-31-22-27-23-33-30(34-27,25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-19,27,31H,20-23H2
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| InChIKey |
QTXPSJZUMKDMGD-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