General Information of the Compound
| Compound ID |
CP0533912
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| Compound Name |
N-[(5,5-diphenyl-1,4-dioxan-2-yl)methyl]-2-phenoxyethanamine
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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 |
C(COc1ccccc1)NCC1COC(CO1)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C25H27NO3/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)20-28-24(19-29-25)18-26-16-17-27-23-14-8-3-9-15-23/h1-15,24,26H,16-20H2
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| InChIKey |
BQBVUOHGBBXQLG-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