General Information of the Compound
| Compound ID |
CP0536093
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| Compound Name |
5-(cyclohexylmethyl)-3-(4-hydroxybutoxy)chromen-4-one
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| Structure |
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| Formula |
C20H26O4
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| Molecular Weight |
330.424
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| Canonical SMILES |
OCCCCOc1coc2cccc(CC3CCCCC3)c2c1=O
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| InChI |
InChI=1S/C20H26O4/c21-11-4-5-12-23-18-14-24-17-10-6-9-16(19(17)20(18)22)13-15-7-2-1-3-8-15/h6,9-10,14-15,21H,1-5,7-8,11-13H2
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| InChIKey |
STJXLWJDBQNAGI-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