General Information of the Compound
| Compound ID |
CP0534992
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| Compound Name |
1-[(E)-1-nitroprop-1-en-2-yl]-3-phenoxybenzene
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| Structure |
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| Formula |
C15H13NO3
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| Molecular Weight |
255.273
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| Canonical SMILES |
C\C(=C/[N+]([O-])=O)c1cccc(Oc2ccccc2)c1
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| InChI |
InChI=1S/C15H13NO3/c1-12(11-16(17)18)13-6-5-9-15(10-13)19-14-7-3-2-4-8-14/h2-11H,1H3/b12-11+
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| InChIKey |
WUSDDAHHKDAWMQ-VAWYXSNFSA-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