General Information of the Compound
| Compound ID |
CP0453328
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| Compound Name |
5-(cyclohexylmethoxy)-3-[[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]methyl]chromen-4-one
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| Structure |
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| Formula |
C27H33NO5
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| Molecular Weight |
451.563
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| Canonical SMILES |
COc1ccc(CN(CCO)Cc2coc3cccc(OCC4CCCCC4)c3c2=O)cc1
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| InChI |
InChI=1S/C27H33NO5/c1-31-23-12-10-20(11-13-23)16-28(14-15-29)17-22-19-33-25-9-5-8-24(26(25)27(22)30)32-18-21-6-3-2-4-7-21/h5,8-13,19,21,29H,2-4,6-7,14-18H2,1H3
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| InChIKey |
CIKZMPURHIJKKP-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