General Information of the Compound
| Compound ID |
CP0465032
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| Compound Name |
3-(2-hydroxyethoxy)-5-(3-methylbutyl)chromen-4-one
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| Structure |
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| Formula |
C16H20O4
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| Molecular Weight |
276.332
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| Canonical SMILES |
CC(C)CCc1cccc2occ(OCCO)c(=O)c12
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| InChI |
InChI=1S/C16H20O4/c1-11(2)6-7-12-4-3-5-13-15(12)16(18)14(10-20-13)19-9-8-17/h3-5,10-11,17H,6-9H2,1-2H3
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| InChIKey |
DETTTYWMGIAAOW-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