General Information of the Compound
| Compound ID |
CP0427732
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| Compound Name |
5-(Cyclohexylmethoxy)-3-((1-hydroxy-3,3-dimethylbutan-2-ylamino)methyl)-4H- 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 |
CC(C)(C)C(CO)NCc1coc2cccc(OCC3CCCCC3)c2c1=O
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| InChI |
InChI=1S/C23H33NO4/c1-23(2,3)20(13-25)24-12-17-15-28-19-11-7-10-18(21(19)22(17)26)27-14-16-8-5-4-6-9-16/h7,10-11,15-16,20,24-25H,4-6,8-9,12-14H2,1-3H3
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| InChIKey |
OEQMESOVIVPDBC-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