General Information of the Compound
| Compound ID |
CP0381047
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| Compound Name |
3-[[butyl(2-hydroxyethyl)amino]methyl]-5-(cyclohexylmethoxy)chromen-4-one
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| Structure |
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| Formula |
C23H33NO4
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| Molecular Weight |
387.52
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| Canonical SMILES |
CCCCN(CCO)Cc1coc2cccc(OCC3CCCCC3)c2c1=O
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| InChI |
InChI=1S/C23H33NO4/c1-2-3-12-24(13-14-25)15-19-17-28-21-11-7-10-20(22(21)23(19)26)27-16-18-8-5-4-6-9-18/h7,10-11,17-18,25H,2-6,8-9,12-16H2,1H3
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| InChIKey |
OYSISJFKVUIECM-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