General Information of the Compound
| Compound ID |
CP0173065
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| Compound Name |
4-Isopropyl-3-methyl-5-oxo-5H-isoxazole-2-carboxylic acid benzyl-methyl-amide
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| Structure |
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| Formula |
C15H24N2O3
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| Molecular Weight |
280.368
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| Canonical SMILES |
CC(C)c1c(C)n(oc1=O)C(=O)N(C)C1CCCCC1
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| InChI |
InChI=1S/C15H24N2O3/c1-10(2)13-11(3)17(20-14(13)18)15(19)16(4)12-8-6-5-7-9-12/h10,12H,5-9H2,1-4H3
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| InChIKey |
MMDRSNFCQKSEBA-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