General Information of the Compound
| Compound ID |
CP0458859
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| Compound Name |
2-Benzo[1,3]dioxol-5-yl-4-butoxy-5-propoxy-2H-chromene-3-carboxylic acid
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| Structure |
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| Formula |
C24H26O7
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| Molecular Weight |
426.465
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| Canonical SMILES |
CCCCOC1=C(C(Oc2cccc(OCCC)c12)c1ccc2OCOc2c1)C(O)=O
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| InChI |
InChI=1S/C24H26O7/c1-3-5-12-28-23-20-17(27-11-4-2)7-6-8-18(20)31-22(21(23)24(25)26)15-9-10-16-19(13-15)30-14-29-16/h6-10,13,22H,3-5,11-12,14H2,1-2H3,(H,25,26)
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| InChIKey |
MNYWXVVCKDPRDV-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