General Information of the Compound
| Compound ID |
CP0473224
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| Compound Name |
(E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl3-(4-methoxyphenyl)acrylate
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| Structure |
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| Formula |
C16H17N3O5
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| Molecular Weight |
331.328
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| Canonical SMILES |
COc1ccc(\C=C\C(=O)OCCn2c(C)ncc2[N+]([O-])=O)cc1
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| InChI |
InChI=1S/C16H17N3O5/c1-12-17-11-15(19(21)22)18(12)9-10-24-16(20)8-5-13-3-6-14(23-2)7-4-13/h3-8,11H,9-10H2,1-2H3/b8-5+
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| InChIKey |
BUHRXTFCHFVRAR-VMPITWQZSA-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