General Information of the Compound
| Compound ID |
CP0383268
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| Compound Name |
7-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]chromen-2-one
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| Structure |
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| Formula |
C25H28O6
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| Molecular Weight |
424.493
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| Canonical SMILES |
CC(C)CC(=O)c1ccc(OCCCCOc2ccc3ccc(=O)oc3c2)c(C)c1O
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| InChI |
InChI=1S/C25H28O6/c1-16(2)14-21(26)20-9-10-22(17(3)25(20)28)30-13-5-4-12-29-19-8-6-18-7-11-24(27)31-23(18)15-19/h6-11,15-16,28H,4-5,12-14H2,1-3H3
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| InChIKey |
NBPPGKVCXHKGCL-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