General Information of the Compound
| Compound ID |
CP0458615
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| Compound Name |
2-phenyl-N-((3-(piperidin-1-yl)-3,4-dihydro-2H-benzo[b][1,4]dioxepin-3-yl)methyl)ethanamine
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| Structure |
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| Formula |
C23H30N2O2
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| Molecular Weight |
366.505
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| Canonical SMILES |
C(Cc1ccccc1)NCC1(COc2ccccc2OC1)N1CCCCC1
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| InChI |
InChI=1S/C23H30N2O2/c1-3-9-20(10-4-1)13-14-24-17-23(25-15-7-2-8-16-25)18-26-21-11-5-6-12-22(21)27-19-23/h1,3-6,9-12,24H,2,7-8,13-19H2
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| InChIKey |
NXYSORJHLYHQML-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