General Information of the Compound
| Compound ID |
CP0411839
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| Compound Name |
5-(cyclohexylmethyl)-3-(3-hydroxypropoxy)-2-methylchromen-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 |
Cc1oc2cccc(CC3CCCCC3)c2c(=O)c1OCCCO
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| InChI |
InChI=1S/C20H26O4/c1-14-20(23-12-6-11-21)19(22)18-16(9-5-10-17(18)24-14)13-15-7-3-2-4-8-15/h5,9-10,15,21H,2-4,6-8,11-13H2,1H3
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| InChIKey |
DTEKPKKXFWYWLU-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