General Information of the Compound
| Compound ID |
CP0510418
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| Compound Name |
7-hydroxy-4-((4-nitropyridin-2-ylthio)methyl)-2H-chromen-2-one
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| Structure |
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| Formula |
C15H10N2O5S
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| Molecular Weight |
330.321
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| Canonical SMILES |
Oc1ccc2c(CSc3ccc(cn3)[N+]([O-])=O)cc(=O)oc2c1
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| InChI |
InChI=1S/C15H10N2O5S/c18-11-2-3-12-9(5-15(19)22-13(12)6-11)8-23-14-4-1-10(7-16-14)17(20)21/h1-7,18H,8H2
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| InChIKey |
WXTZSMYDLAAWPT-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