General Information of the Compound
| Compound ID |
CP0401886
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| Compound Name |
5-(Cyclohexylmethoxy)-3-((3-hydroxypropylamino)-methyl)-4H-chromen-4-one
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| Structure |
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| Formula |
C20H27NO4
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| Molecular Weight |
345.439
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| Canonical SMILES |
OCCCNCc1coc2cccc(OCC3CCCCC3)c2c1=O
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| InChI |
InChI=1S/C20H27NO4/c22-11-5-10-21-12-16-14-25-18-9-4-8-17(19(18)20(16)23)24-13-15-6-2-1-3-7-15/h4,8-9,14-15,21-22H,1-3,5-7,10-13H2
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| InChIKey |
LPUBEUZBJCCGMU-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