General Information of the Compound
| Compound ID |
CP0221896
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| Compound Name |
2-(4-Benzyl-piperidine-1-carbonyl)-4-isopropyl-3-methyl-2H-isoxazol-5-one
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| Structure |
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| Formula |
C20H26N2O3
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| Molecular Weight |
342.439
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| Canonical SMILES |
CC(C)c1c(C)n(oc1=O)C(=O)N1CCC(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C20H26N2O3/c1-14(2)18-15(3)22(25-19(18)23)20(24)21-11-9-17(10-12-21)13-16-7-5-4-6-8-16/h4-8,14,17H,9-13H2,1-3H3
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| InChIKey |
RDJZYCKJNUNIAL-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