General Information of the Compound
| Compound ID |
CP0572019
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| Compound Name |
1-(cyclopropylmethoxy)-3-[(E)-2-nitroethenyl]benzene
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| Structure |
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| Formula |
C12H13NO3
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| Molecular Weight |
219.24
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| Canonical SMILES |
[O-][N+](=O)\C=C\c1cccc(OCC2CC2)c1
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| InChI |
InChI=1S/C12H13NO3/c14-13(15)7-6-10-2-1-3-12(8-10)16-9-11-4-5-11/h1-3,6-8,11H,4-5,9H2/b7-6+
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| InChIKey |
HTSVDLHGHLHNGL-VOTSOKGWSA-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