General Information of the Compound
| Compound ID |
CP0555850
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| Compound Name |
5-(cyclohexylmethyl)-3-(2-hydroxyethoxy)chromen-4-one
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| Structure |
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| Formula |
C18H22O4
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| Molecular Weight |
302.37
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| Canonical SMILES |
OCCOc1coc2cccc(CC3CCCCC3)c2c1=O
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| InChI |
InChI=1S/C18H22O4/c19-9-10-21-16-12-22-15-8-4-7-14(17(15)18(16)20)11-13-5-2-1-3-6-13/h4,7-8,12-13,19H,1-3,5-6,9-11H2
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| InChIKey |
ATKCPYLHAUQCES-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