General Information of the Compound
| Compound ID |
CP0569933
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| Compound Name |
1-butoxy-3-[(E)-2-nitroethenyl]benzene
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| Structure |
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| Formula |
C12H15NO3
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| Molecular Weight |
221.256
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| Canonical SMILES |
CCCCOc1cccc(\C=C\[N+]([O-])=O)c1
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| InChI |
InChI=1S/C12H15NO3/c1-2-3-9-16-12-6-4-5-11(10-12)7-8-13(14)15/h4-8,10H,2-3,9H2,1H3/b8-7+
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| InChIKey |
WDDLDNOJJFVOSD-BQYQJAHWSA-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