General Information of the Compound
| Compound ID |
CP0533523
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| Compound Name |
1-(2-ethoxyphenyl)-3-(4-propan-2-yloxyphenyl)propane-1,3-dione
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| Structure |
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| Formula |
C20H22O4
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| Molecular Weight |
326.392
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| Canonical SMILES |
CCOc1ccccc1C(=O)CC(=O)c1ccc(OC(C)C)cc1
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| InChI |
InChI=1S/C20H22O4/c1-4-23-20-8-6-5-7-17(20)19(22)13-18(21)15-9-11-16(12-10-15)24-14(2)3/h5-12,14H,4,13H2,1-3H3
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| InChIKey |
IVEGYQQHXRADCB-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