General Information of the Compound
| Compound ID |
CP0055468
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| Compound Name |
3-Methyl-2-(piperidine-1-carbonyl)-4-(tetrahydro-pyran-4-yl)-2H-isoxazol-5-one
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| Structure |
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| Formula |
C15H22N2O4
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| Molecular Weight |
294.351
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| Canonical SMILES |
Cc1c(C2CCOCC2)c(=O)on1C(=O)N1CCCCC1
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| InChI |
InChI=1S/C15H22N2O4/c1-11-13(12-5-9-20-10-6-12)14(18)21-17(11)15(19)16-7-3-2-4-8-16/h12H,2-10H2,1H3
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| InChIKey |
MGFYLJXZKULJFY-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