General Information of the Compound
| Compound ID |
CP0411850
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| Compound Name |
(E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-(naphthalen-1-yl)acrylate
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| Structure |
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| Formula |
C19H17N3O4
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| Molecular Weight |
351.362
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| Canonical SMILES |
Cc1ncc(n1CCOC(=O)\C=C\c1cccc2ccccc12)[N+]([O-])=O
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| InChI |
InChI=1S/C19H17N3O4/c1-14-20-13-18(22(24)25)21(14)11-12-26-19(23)10-9-16-7-4-6-15-5-2-3-8-17(15)16/h2-10,13H,11-12H2,1H3/b10-9+
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| InChIKey |
WVYOFBIKOJAJSC-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: PT00922, Epidermal growth factor receptor
Protein ID: PT01233, Receptor tyrosine-protein kinase erbB-2