General Information of the Compound
| Compound ID |
CP0293366
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| Compound Name |
4-Isopropyl-3-methyl-2-[4-(4-methyl-3H-isoxazol-2-yl)-piperidine-1-carbonyl]-2H-isoxazol-5-one
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| Structure |
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| Formula |
C17H25N3O4
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| Molecular Weight |
335.404
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| Canonical SMILES |
CC(C)c1c(C)n(oc1=O)C(=O)N1CCC(CC1)N1CC(C)=CO1
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| InChI |
InChI=1S/C17H25N3O4/c1-11(2)15-13(4)20(24-16(15)21)17(22)18-7-5-14(6-8-18)19-9-12(3)10-23-19/h10-11,14H,5-9H2,1-4H3
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| InChIKey |
IDSRCNJBGXOSGL-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