General Information of the Compound
| Compound ID |
CP0395482
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| Compound Name |
N-[(E)-[2-(4-chlorophenoxy)-6-methylquinolin-3-yl]methylideneamino]-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
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| Structure |
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| Formula |
C23H19ClN6O4
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| Molecular Weight |
478.896
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| Canonical SMILES |
Cc1ncc(n1CC(=O)N\N=C\c1cc2cc(C)ccc2nc1Oc1ccc(Cl)cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C23H19ClN6O4/c1-14-3-8-20-16(9-14)10-17(23(27-20)34-19-6-4-18(24)5-7-19)11-26-28-21(31)13-29-15(2)25-12-22(29)30(32)33/h3-12H,13H2,1-2H3,(H,28,31)/b26-11+
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| InChIKey |
YDIGTIXLCJHFIX-KBKYJPHKSA-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