General Information of the Compound
| Compound ID |
CP0156193
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| Compound Name |
3-(1,3-benzodioxol-5-yl)-1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-phenoxyphenyl)propan-1-one
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| Structure |
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| Formula |
C29H31NO5
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| Molecular Weight |
473.569
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| Canonical SMILES |
CC1CC(C)CN(C1)C(=O)CC(c1ccc2OCOc2c1)c1c(O)cccc1Oc1ccccc1
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| InChI |
InChI=1S/C29H31NO5/c1-19-13-20(2)17-30(16-19)28(32)15-23(21-11-12-25-27(14-21)34-18-33-25)29-24(31)9-6-10-26(29)35-22-7-4-3-5-8-22/h3-12,14,19-20,23,31H,13,15-18H2,1-2H3
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| InChIKey |
QVPXGSHAJCEGRX-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