General Information of the Compound
| Compound ID |
CP0389288
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| Compound Name |
3-(3-hydroxypropoxy)-5-(3-methylbutyl)chromen-4-one
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| Structure |
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| Formula |
C17H22O4
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| Molecular Weight |
290.359
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| Canonical SMILES |
CC(C)CCc1cccc2occ(OCCCO)c(=O)c12
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| InChI |
InChI=1S/C17H22O4/c1-12(2)7-8-13-5-3-6-14-16(13)17(19)15(11-21-14)20-10-4-9-18/h3,5-6,11-12,18H,4,7-10H2,1-2H3
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| InChIKey |
DSZVQUFDDKOPIT-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