General Information of the Compound
| Compound ID |
CP0372727
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| Compound Name |
(E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl3-(2-chlorophenyl)acrylate
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| Structure |
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| Formula |
C15H14ClN3O4
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| Molecular Weight |
335.747
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| Canonical SMILES |
Cc1ncc(n1CCOC(=O)\C=C\c1ccccc1Cl)[N+]([O-])=O
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| InChI |
InChI=1S/C15H14ClN3O4/c1-11-17-10-14(19(21)22)18(11)8-9-23-15(20)7-6-12-4-2-3-5-13(12)16/h2-7,10H,8-9H2,1H3/b7-6+
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| InChIKey |
QBNMUADYOCPTHB-VOTSOKGWSA-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