General Information of the Compound
| Compound ID |
CP0427534
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| Compound Name |
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-nitrobenzene
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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 |
COc1ccc(\C=C\c2cccc(c2)[N+]([O-])=O)cc1
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| InChI |
InChI=1S/C15H13NO3/c1-19-15-9-7-12(8-10-15)5-6-13-3-2-4-14(11-13)16(17)18/h2-11H,1H3/b6-5+
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| InChIKey |
OQTPCVHPYCNENY-AATRIKPKSA-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