General Information of the Compound
| Compound ID |
CP0283591
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| Compound Name |
[4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4-pyrrolidin-1-ylsulfonylbenzoate
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| Structure |
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| Formula |
C21H19N3O6S2
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| Molecular Weight |
473.532
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| Canonical SMILES |
O=C(Oc1coc(CSc2ncccn2)cc1=O)c1ccc(cc1)S(=O)(=O)N1CCCC1
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| InChI |
InChI=1S/C21H19N3O6S2/c25-18-12-16(14-31-21-22-8-3-9-23-21)29-13-19(18)30-20(26)15-4-6-17(7-5-15)32(27,28)24-10-1-2-11-24/h3-9,12-13H,1-2,10-11,14H2
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| InChIKey |
GVACLVFDIXNKMD-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