General Information of the Compound
| Compound ID |
CP0453451
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| Compound Name |
4-(4-Methanesulfonyl-phenyl)-5,5-dimethyl-3-(pyrimidin-2-yloxy)-5H-furan-2-one
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| Structure |
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| Formula |
C17H16N2O5S
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| Molecular Weight |
360.391
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| Canonical SMILES |
CC1(C)OC(=O)C(Oc2ncccn2)=C1c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C17H16N2O5S/c1-17(2)13(11-5-7-12(8-6-11)25(3,21)22)14(15(20)24-17)23-16-18-9-4-10-19-16/h4-10H,1-3H3
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| InChIKey |
CFLVAXAAGJCMLB-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