General Information of the Compound
| Compound ID |
CP0399844
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| Compound Name |
2-(2-methyl-5-nitroimidazol-1-yl)-N-[(E)-[2-(4-methylphenoxy)quinolin-3-yl]methylideneamino]acetamide
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| Structure |
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| Formula |
C23H20N6O4
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| Molecular Weight |
444.451
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| Canonical SMILES |
Cc1ncc(n1CC(=O)N\N=C\c1cc2ccccc2nc1Oc1ccc(C)cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C23H20N6O4/c1-15-7-9-19(10-8-15)33-23-18(11-17-5-3-4-6-20(17)26-23)12-25-27-21(30)14-28-16(2)24-13-22(28)29(31)32/h3-13H,14H2,1-2H3,(H,27,30)/b25-12+
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| InChIKey |
RWPGVTRJOVHHSX-BRJLIKDPSA-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