General Information of the Compound
| Compound ID |
CP0347861
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| Compound Name |
4-Isopropyl-3-methyl-5-oxo-5H-isoxazole-2-carboxylic acid diethylamide
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| Structure |
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| Formula |
C12H20N2O3
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| Molecular Weight |
240.303
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| Canonical SMILES |
CCN(CC)C(=O)n1oc(=O)c(C(C)C)c1C
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| InChI |
InChI=1S/C12H20N2O3/c1-6-13(7-2)12(16)14-9(5)10(8(3)4)11(15)17-14/h8H,6-7H2,1-5H3
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| InChIKey |
GVAVCKQEKDSVRF-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