General Information of the Compound
| Compound ID |
CP0455240
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| Compound Name |
5-(cyclohexylmethoxy)-3-[[ethyl(2-hydroxyethyl)amino]methyl]chromen-4-one
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| Structure |
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| Formula |
C21H29NO4
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| Molecular Weight |
359.466
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| Canonical SMILES |
CCN(CCO)Cc1coc2cccc(OCC3CCCCC3)c2c1=O
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| InChI |
InChI=1S/C21H29NO4/c1-2-22(11-12-23)13-17-15-26-19-10-6-9-18(20(19)21(17)24)25-14-16-7-4-3-5-8-16/h6,9-10,15-16,23H,2-5,7-8,11-14H2,1H3
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| InChIKey |
HYYHWRBHSOQRNP-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