General Information of the Compound
| Compound ID |
CP0264848
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| Compound Name |
5-[4-(3-Hydroxypropoxy)phenyl]-11,12-dihydro-5H-6,13-dioxabenzo[3,4]cyclohepta[1,2-a]naphthal ene-2,8-diol
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| Structure |
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| Formula |
C26H24O6
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| Molecular Weight |
432.472
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| Canonical SMILES |
OCCCOc1ccc(cc1)C1Oc2cc(O)ccc2C2=C1c1ccc(O)cc1OCC2
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| InChI |
InChI=1S/C26H24O6/c27-11-1-12-30-19-6-2-16(3-7-19)26-25-21(20-8-4-18(29)15-24(20)32-26)10-13-31-23-14-17(28)5-9-22(23)25/h2-9,14-15,26-29H,1,10-13H2
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| InChIKey |
DVEXRUSVKFNKTJ-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