General Information of the Compound
| Compound ID |
CP0438475
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| Compound Name |
4-Benzo[1,3]dioxol-5-yl-6-butoxy-2-(2,4-dimethoxy-phenyl)-2H-chromene-3-carboxylic acid
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| Structure |
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| Formula |
C29H28O8
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| Molecular Weight |
504.535
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| Canonical SMILES |
CCCCOc1ccc2OC(C(C(O)=O)=C(c3ccc4OCOc4c3)c2c1)c1ccc(OC)cc1OC
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| InChI |
InChI=1S/C29H28O8/c1-4-5-12-34-19-8-11-22-21(14-19)26(17-6-10-23-25(13-17)36-16-35-23)27(29(30)31)28(37-22)20-9-7-18(32-2)15-24(20)33-3/h6-11,13-15,28H,4-5,12,16H2,1-3H3,(H,30,31)
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| InChIKey |
GXNMJPVIBJZOLD-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