General Information of the Compound
| Compound ID |
CP0554906
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| Compound Name |
2-Benzo[1,3]dioxol-5-yl-4-(5-hydroxy-pentyloxy)-6-isopropoxy-2H-chromene-3-carboxylic acid
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| Structure |
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| Formula |
C25H28O8
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| Molecular Weight |
456.491
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| Canonical SMILES |
CC(C)Oc1ccc2OC(C(C(O)=O)=C(OCCCCCO)c2c1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C25H28O8/c1-15(2)32-17-7-9-19-18(13-17)24(29-11-5-3-4-10-26)22(25(27)28)23(33-19)16-6-8-20-21(12-16)31-14-30-20/h6-9,12-13,15,23,26H,3-5,10-11,14H2,1-2H3,(H,27,28)
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| InChIKey |
OWIZPRCBBSSNRM-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