General Information of the Compound
| Compound ID |
CP0395491
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| Compound Name |
N-[(E)-[2-(4-methoxyphenoxy)quinolin-3-yl]methylideneamino]-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
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| Structure |
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| Formula |
C23H20N6O5
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| Molecular Weight |
460.45
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| Canonical SMILES |
COc1ccc(Oc2nc3ccccc3cc2\C=N\NC(=O)Cn2c(C)ncc2[N+]([O-])=O)cc1
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| InChI |
InChI=1S/C23H20N6O5/c1-15-24-13-22(29(31)32)28(15)14-21(30)27-25-12-17-11-16-5-3-4-6-20(16)26-23(17)34-19-9-7-18(33-2)8-10-19/h3-13H,14H2,1-2H3,(H,27,30)/b25-12+
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| InChIKey |
YGEZJZFYZRLJBC-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