General Information of the Compound
| Compound ID |
CP0542479
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| Compound Name |
2-Benzo[1,3]dioxol-5-yl-4,6-diisopropoxy-2H-chromene-3-carboxylic acid
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| Structure |
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| Formula |
C23H24O7
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| Molecular Weight |
412.438
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| Canonical SMILES |
CC(C)OC1=C(C(Oc2ccc(OC(C)C)cc12)c1ccc2OCOc2c1)C(O)=O
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| InChI |
InChI=1S/C23H24O7/c1-12(2)28-15-6-8-17-16(10-15)22(29-13(3)4)20(23(24)25)21(30-17)14-5-7-18-19(9-14)27-11-26-18/h5-10,12-13,21H,11H2,1-4H3,(H,24,25)
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| InChIKey |
NJNBUIGBFVDSFA-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