General Information of the Compound
| Compound ID |
CP0547834
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| Compound Name |
methyl 3-(4-benzyl-3-oxoquinoxalin-2-yl)-4-nitrobenzoate
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| Structure |
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| Formula |
C23H17N3O5
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| Molecular Weight |
415.405
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| Canonical SMILES |
COC(=O)c1ccc(c(c1)-c1nc2ccccc2n(Cc2ccccc2)c1=O)[N+]([O-])=O
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| InChI |
InChI=1S/C23H17N3O5/c1-31-23(28)16-11-12-19(26(29)30)17(13-16)21-22(27)25(14-15-7-3-2-4-8-15)20-10-6-5-9-18(20)24-21/h2-13H,14H2,1H3
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| InChIKey |
LGJHIKHWNHXUQH-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