General Information of the Compound
| Compound ID |
CP0331535
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| Compound Name |
3-(1,3-benzodioxol-5-yl)-1-(3,5-dimethylpiperidin-1-yl)-3-(5-ethyl-2-hydroxyphenyl)propan-1-one
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| Structure |
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| Formula |
C25H31NO4
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| Molecular Weight |
409.526
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| Canonical SMILES |
CCc1ccc(O)c(c1)C(CC(=O)N1CC(C)CC(C)C1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C25H31NO4/c1-4-18-5-7-22(27)21(10-18)20(19-6-8-23-24(11-19)30-15-29-23)12-25(28)26-13-16(2)9-17(3)14-26/h5-8,10-11,16-17,20,27H,4,9,12-15H2,1-3H3
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| InChIKey |
NIRMMTQJLKPRRA-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