General Information of the Compound
| Compound ID |
CP0544510
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| Compound Name |
methyl 3-[[2-(4-nitrophenyl)sulfanylacetyl]amino]-1-benzofuran-2-carboxylate
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| Structure |
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| Formula |
C18H14N2O6S
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| Molecular Weight |
386.385
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| Canonical SMILES |
COC(=O)c1oc2ccccc2c1NC(=O)CSc1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C18H14N2O6S/c1-25-18(22)17-16(13-4-2-3-5-14(13)26-17)19-15(21)10-27-12-8-6-11(7-9-12)20(23)24/h2-9H,10H2,1H3,(H,19,21)
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| InChIKey |
QGEACCOGAFPHIJ-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