General Information of the Compound
| Compound ID |
CP0395480
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| Compound Name |
N-[(E)-[2-(4-chlorophenoxy)quinolin-3-yl]methylideneamino]-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
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| Structure |
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| Formula |
C22H17ClN6O4
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| Molecular Weight |
464.869
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| Canonical SMILES |
Cc1ncc(n1CC(=O)N\N=C\c1cc2ccccc2nc1Oc1ccc(Cl)cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C22H17ClN6O4/c1-14-24-12-21(29(31)32)28(14)13-20(30)27-25-11-16-10-15-4-2-3-5-19(15)26-22(16)33-18-8-6-17(23)7-9-18/h2-12H,13H2,1H3,(H,27,30)/b25-11+
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| InChIKey |
ZUENTARNBSSDPX-OPEKNORGSA-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