General Information of the Compound
| Compound ID |
CP0459094
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| Compound Name |
N-(2,4-difluoro-6-nitrophenyl)-2-[5-[(4-fluorophenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide
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| Structure |
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| Formula |
C20H15F3N4O4
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| Molecular Weight |
432.358
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| Canonical SMILES |
Cc1cc(Cc2ccc(F)cc2)c(=O)n(CC(=O)Nc2c(F)cc(F)cc2[N+]([O-])=O)n1
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| InChI |
InChI=1S/C20H15F3N4O4/c1-11-6-13(7-12-2-4-14(21)5-3-12)20(29)26(25-11)10-18(28)24-19-16(23)8-15(22)9-17(19)27(30)31/h2-6,8-9H,7,10H2,1H3,(H,24,28)
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| InChIKey |
PCGBVLCCRMNGKQ-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