General Information of the Compound
| Compound ID |
CP0534995
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| Compound Name |
butyl 6-[[3-[(E)-2-nitroethenyl]phenoxy]methyl]pyridine-3-carboxylate
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| Structure |
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| Formula |
C19H20N2O5
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| Molecular Weight |
356.378
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| Canonical SMILES |
CCCCOC(=O)c1ccc(COc2cccc(\C=C\[N+]([O-])=O)c2)nc1
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| InChI |
InChI=1S/C19H20N2O5/c1-2-3-11-25-19(22)16-7-8-17(20-13-16)14-26-18-6-4-5-15(12-18)9-10-21(23)24/h4-10,12-13H,2-3,11,14H2,1H3/b10-9+
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| InChIKey |
JPUNGJAPMAWGRB-MDZDMXLPSA-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
Protein ID: PT04438, Toll-like receptor 2
Protein ID: PT03343, Toll-like receptor 4