General Information of the Compound
| Compound ID |
CP0914655
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| Compound Name |
(E)-1-[5-Acetyl-2,4-dihydroxyphenyl]-3-(benzo[d][1,3]dioxol-5-yl)prop-2-en-1-one
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| Structure |
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| Formula |
C18H14O6
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| Molecular Weight |
326.304
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| Canonical SMILES |
CC(=O)c1cc(C(=O)/C=C/c2ccc3c(c2)OCO3)c(O)cc1O
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| InChI |
InChI=1S/C18H14O6/c1-10(19)12-7-13(16(22)8-15(12)21)14(20)4-2-11-3-5-17-18(6-11)24-9-23-17/h2-8,21-22H,9H2,1H3/b4-2+
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| InChIKey |
SIUYNQHRXWNBJP-DUXPYHPUSA-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