General Information of the Compound
| Compound ID |
CP0555851
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| Compound Name |
3-(3-hydroxypropoxy)-6-(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)CCc1ccc2occ(OCCCO)c(=O)c2c1
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| InChI |
InChI=1S/C17H22O4/c1-12(2)4-5-13-6-7-15-14(10-13)17(19)16(11-21-15)20-9-3-8-18/h6-7,10-12,18H,3-5,8-9H2,1-2H3
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| InChIKey |
JFTNBWBGFHFZKE-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