General Information of the Compound
| Compound ID |
CP0391344
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| Compound Name |
N-(4-bromo-2-nitrophenyl)-2-[5-[(4-fluorophenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide
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| Structure |
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| Formula |
C20H16BrFN4O4
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| Molecular Weight |
475.274
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| Canonical SMILES |
Cc1cc(Cc2ccc(F)cc2)c(=O)n(CC(=O)Nc2ccc(Br)cc2[N+]([O-])=O)n1
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| InChI |
InChI=1S/C20H16BrFN4O4/c1-12-8-14(9-13-2-5-16(22)6-3-13)20(28)25(24-12)11-19(27)23-17-7-4-15(21)10-18(17)26(29)30/h2-8,10H,9,11H2,1H3,(H,23,27)
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| InChIKey |
JKWPFDFOZUAWQF-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