General Information of the Compound
| Compound ID |
CP0130731
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| Compound Name |
4-Isopropyl-3-methyl-5-oxo-5H-isoxazole-2-carboxylic acid methyl-thiophen-2-ylmethyl-amide
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| Structure |
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| Formula |
C14H18N2O3S
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| Molecular Weight |
294.376
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| Canonical SMILES |
CC(C)c1c(C)n(oc1=O)C(=O)N(C)Cc1cccs1
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| InChI |
InChI=1S/C14H18N2O3S/c1-9(2)12-10(3)16(19-13(12)17)14(18)15(4)8-11-6-5-7-20-11/h5-7,9H,8H2,1-4H3
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| InChIKey |
SDWXGFHYHUHBFP-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