General Information of the Compound
| Compound ID |
CP0436446
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| Compound Name |
1-benzyl-6,7-dimethyl-3-(3-nitrophenyl)quinoxalin-2-one
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| Structure |
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| Formula |
C23H19N3O3
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| Molecular Weight |
385.423
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| Canonical SMILES |
Cc1cc2nc(-c3cccc(c3)[N+]([O-])=O)c(=O)n(Cc3ccccc3)c2cc1C
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| InChI |
InChI=1S/C23H19N3O3/c1-15-11-20-21(12-16(15)2)25(14-17-7-4-3-5-8-17)23(27)22(24-20)18-9-6-10-19(13-18)26(28)29/h3-13H,14H2,1-2H3
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| InChIKey |
DTRGKVZXGWAEKQ-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