General Information of the Compound
| Compound ID |
CP0260447
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| Compound Name |
[4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4,5-dimethoxy-2-nitrobenzoate
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| Structure |
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| Formula |
C19H15N3O8S
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| Molecular Weight |
445.409
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| Canonical SMILES |
COc1cc(C(=O)Oc2coc(CSc3ncccn3)cc2=O)c(cc1OC)[N+]([O-])=O
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| InChI |
InChI=1S/C19H15N3O8S/c1-27-15-7-12(13(22(25)26)8-16(15)28-2)18(24)30-17-9-29-11(6-14(17)23)10-31-19-20-4-3-5-21-19/h3-9H,10H2,1-2H3
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| InChIKey |
BJZYCHKZQGDNSB-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