General Information of the Compound
| Compound ID |
CP0171544
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| Compound Name |
4-Cyclohexyl-3-methyl-2-(4-methyl-piperidine-1-carbonyl)-2H-isoxazol-5-one
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| Structure |
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| Formula |
C17H26N2O3
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| Molecular Weight |
306.406
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| Canonical SMILES |
CC1CCN(CC1)C(=O)n1oc(=O)c(C2CCCCC2)c1C
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| InChI |
InChI=1S/C17H26N2O3/c1-12-8-10-18(11-9-12)17(21)19-13(2)15(16(20)22-19)14-6-4-3-5-7-14/h12,14H,3-11H2,1-2H3
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| InChIKey |
IEFCKUMENKPKBO-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