General Information of the Compound
| Compound ID |
CP0540326
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| Compound Name |
N-[(E)-[2-(4-methoxyphenoxy)-6-methylquinolin-3-yl]methylideneamino]-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
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| Structure |
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| Formula |
C24H22N6O5
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| Molecular Weight |
474.477
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| Canonical SMILES |
COc1ccc(Oc2nc3ccc(C)cc3cc2\C=N\NC(=O)Cn2c(C)ncc2[N+]([O-])=O)cc1
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| InChI |
InChI=1S/C24H22N6O5/c1-15-4-9-21-17(10-15)11-18(24(27-21)35-20-7-5-19(34-3)6-8-20)12-26-28-22(31)14-29-16(2)25-13-23(29)30(32)33/h4-13H,14H2,1-3H3,(H,28,31)/b26-12+
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| InChIKey |
ZLGNBZXKRMZDCF-RPPGKUMJSA-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