General Information of the Compound
| Compound ID |
CP0492080
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| Compound Name |
1-benzyl-8-methyl-3-(3-nitrophenyl)quinoxalin-2-one
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| Structure |
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| Formula |
C22H17N3O3
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| Molecular Weight |
371.396
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| Canonical SMILES |
Cc1cccc2nc(-c3cccc(c3)[N+]([O-])=O)c(=O)n(Cc3ccccc3)c12
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| InChI |
InChI=1S/C22H17N3O3/c1-15-7-5-12-19-21(15)24(14-16-8-3-2-4-9-16)22(26)20(23-19)17-10-6-11-18(13-17)25(27)28/h2-13H,14H2,1H3
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| InChIKey |
NKCYLMPJIYJVAI-UHFFFAOYSA-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