General Information of the Compound
| Compound ID |
CP0314443
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| Compound Name |
5-[4-(2-Hydroxyethoxy)phenyl]-11,12-dihydro-5H-6,13-dioxabenzo[3,4]cyclohepta [1,2-a]naphthalene-2,8-diol
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| Structure |
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| Formula |
C25H22O6
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| Molecular Weight |
418.445
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| Canonical SMILES |
OCCOc1ccc(cc1)C1Oc2cc(O)ccc2C2=C1c1ccc(O)cc1OCC2
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| InChI |
InChI=1S/C25H22O6/c26-10-12-29-18-5-1-15(2-6-18)25-24-20(19-7-3-17(28)14-23(19)31-25)9-11-30-22-13-16(27)4-8-21(22)24/h1-8,13-14,25-28H,9-12H2
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| InChIKey |
ZWJVWQRDPFBRFW-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