General Information of the Compound
| Compound ID |
CP0452143
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| Compound Name |
(E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl3-p-tolylacrylate
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| Structure |
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| Formula |
C16H17N3O4
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| Molecular Weight |
315.329
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| Canonical SMILES |
Cc1ncc(n1CCOC(=O)\C=C\c1ccc(C)cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C16H17N3O4/c1-12-3-5-14(6-4-12)7-8-16(20)23-10-9-18-13(2)17-11-15(18)19(21)22/h3-8,11H,9-10H2,1-2H3/b8-7+
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| InChIKey |
IJUNVQOREZBHKC-BQYQJAHWSA-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