General Information of the Compound
| Compound ID |
CP0414892
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| Compound Name |
2-(2-methyl-5-nitroimidazol-1-yl)-N-[(E)-(2-phenoxyquinolin-3-yl)methylideneamino]acetamide
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| Structure |
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| Formula |
C22H18N6O4
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| Molecular Weight |
430.424
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| Canonical SMILES |
Cc1ncc(n1CC(=O)N\N=C\c1cc2ccccc2nc1Oc1ccccc1)[N+]([O-])=O
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| InChI |
InChI=1S/C22H18N6O4/c1-15-23-13-21(28(30)31)27(15)14-20(29)26-24-12-17-11-16-7-5-6-10-19(16)25-22(17)32-18-8-3-2-4-9-18/h2-13H,14H2,1H3,(H,26,29)/b24-12+
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| InChIKey |
YZFFSSSXLLCPIH-WYMPLXKRSA-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