General Information of the Compound
| Compound ID |
CP0339370
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| Compound Name |
[6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 5-nitrofuran-2-carboxylate
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| Structure |
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| Formula |
C16H11N3O7S
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| Molecular Weight |
389.345
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| Canonical SMILES |
Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(o3)[N+]([O-])=O)co2)n1
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| InChI |
InChI=1S/C16H11N3O7S/c1-9-4-5-17-16(18-9)27-8-10-6-11(20)13(7-24-10)26-15(21)12-2-3-14(25-12)19(22)23/h2-7H,8H2,1H3
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| InChIKey |
WCBHRNBEFFINST-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