General Information of the Compound
| Compound ID |
CP0544845
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| Compound Name |
2-Benzo[1,3]dioxol-5-yl-4-(4-methoxy-phenyl)-7-propoxy-2H-chromene-3-carboxylic acid
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| Structure |
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| Formula |
C27H24O7
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| Molecular Weight |
460.482
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| Canonical SMILES |
CCCOc1ccc2C(=C(C(Oc2c1)c1ccc2OCOc2c1)C(O)=O)c1ccc(OC)cc1
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| InChI |
InChI=1S/C27H24O7/c1-3-12-31-19-9-10-20-22(14-19)34-26(17-6-11-21-23(13-17)33-15-32-21)25(27(28)29)24(20)16-4-7-18(30-2)8-5-16/h4-11,13-14,26H,3,12,15H2,1-2H3,(H,28,29)
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| InChIKey |
QUWOEEIDQUFCII-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