General Information of the Compound
| Compound ID |
CP0497902
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| Compound Name |
1-benzyl-6-bromo-3-(3-nitrophenyl)quinoxalin-2-one
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| Structure |
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| Formula |
C21H14BrN3O3
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| Molecular Weight |
436.265
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| Canonical SMILES |
[O-][N+](=O)c1cccc(c1)-c1nc2cc(Br)ccc2n(Cc2ccccc2)c1=O
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| InChI |
InChI=1S/C21H14BrN3O3/c22-16-9-10-19-18(12-16)23-20(15-7-4-8-17(11-15)25(27)28)21(26)24(19)13-14-5-2-1-3-6-14/h1-12H,13H2
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| InChIKey |
PUPHXIVHXCTNLM-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