General Information of the Compound
| Compound ID |
CP0053132
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| Compound Name |
4-(2-Methoxy-ethyl)-3-methyl-2-(4-m-tolyl-piperidine-1-carbonyl)-2H-isoxazol-5-one
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| Structure |
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| Formula |
C20H26N2O4
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| Molecular Weight |
358.438
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| Canonical SMILES |
COCCc1c(C)n(oc1=O)C(=O)N1CCC(CC1)c1cccc(C)c1
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| InChI |
InChI=1S/C20H26N2O4/c1-14-5-4-6-17(13-14)16-7-10-21(11-8-16)20(24)22-15(2)18(9-12-25-3)19(23)26-22/h4-6,13,16H,7-12H2,1-3H3
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| InChIKey |
ULSFLUWBEPYBPS-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