General Information of the Compound
| Compound ID |
CP0451738
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| Compound Name |
5-[5-(2-carboxy-4-oxochromen-5-yl)-3-hydroxypentyl]-4-oxochromene-2-carboxylic acid
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| Structure |
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| Formula |
C25H20O9
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| Molecular Weight |
464.426
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| Canonical SMILES |
OC(CCc1cccc2oc(cc(=O)c12)C(O)=O)CCc1cccc2oc(cc(=O)c12)C(O)=O
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| InChI |
InChI=1S/C25H20O9/c26-15(9-7-13-3-1-5-18-22(13)16(27)11-20(33-18)24(29)30)10-8-14-4-2-6-19-23(14)17(28)12-21(34-19)25(31)32/h1-6,11-12,15,26H,7-10H2,(H,29,30)(H,31,32)
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| InChIKey |
ZBNMDLBBOZONBY-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