General Information of the Compound
| Compound ID |
CP0289076
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| Compound Name |
3-Methyl-4-phenylsulfanyl-2-(piperidine-1-carbonyl)-2H-isoxazol-5-one
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| Structure |
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| Formula |
C16H18N2O3S
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| Molecular Weight |
318.398
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| Canonical SMILES |
Cc1c(Sc2ccccc2)c(=O)on1C(=O)N1CCCCC1
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| InChI |
InChI=1S/C16H18N2O3S/c1-12-14(22-13-8-4-2-5-9-13)15(19)21-18(12)16(20)17-10-6-3-7-11-17/h2,4-5,8-9H,3,6-7,10-11H2,1H3
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| InChIKey |
IVLNUTJVYSYRNZ-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