General Information of the Compound
| Compound ID |
CP0572020
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| Compound Name |
ethyl 6-[[3-[(E)-2-nitroethenyl]phenoxy]methyl]pyridine-3-carboxylate
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| Structure |
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| Formula |
C17H16N2O5
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| Molecular Weight |
328.324
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| Canonical SMILES |
CCOC(=O)c1ccc(COc2cccc(\C=C\[N+]([O-])=O)c2)nc1
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| InChI |
InChI=1S/C17H16N2O5/c1-2-23-17(20)14-6-7-15(18-11-14)12-24-16-5-3-4-13(10-16)8-9-19(21)22/h3-11H,2,12H2,1H3/b9-8+
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| InChIKey |
LUHFXBOCIVKPDT-CMDGGOBGSA-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