General Information of the Compound
| Compound ID |
CP0506287
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| Compound Name |
2-(3,4-dihydroxyphenyl)-7-hydroxy-5-(4-ph-enylbutoxy)-4H-chromen-4-one
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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 |
Oc1cc(OCCCCc2ccccc2)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
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| InChI |
InChI=1S/C25H22O6/c26-18-13-23(30-11-5-4-8-16-6-2-1-3-7-16)25-21(29)15-22(31-24(25)14-18)17-9-10-19(27)20(28)12-17/h1-3,6-7,9-10,12-15,26-28H,4-5,8,11H2
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| InChIKey |
KJQHIKKEHGVZBA-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