General Information of the Compound
| Compound ID |
CP0048775
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| Compound Name |
1-ethoxy-4-(2-nitrovinyl)naphthalene
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| Structure |
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| Formula |
C14H13NO3
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| Molecular Weight |
243.262
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| Canonical SMILES |
CCOc1ccc(\C=C\[N+]([O-])=O)c2ccccc12
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| InChI |
InChI=1S/C14H13NO3/c1-2-18-14-8-7-11(9-10-15(16)17)12-5-3-4-6-13(12)14/h3-10H,2H2,1H3/b10-9+
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| InChIKey |
SHTYEDHRCHTDDY-MDZDMXLPSA-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06101, Latent membrane protein 1