General Information of the Compound
| Compound ID |
CP0463028
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| Compound Name |
4-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2-thiazol-2-ylmethyl-2H-pyridazin-3-one
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| Structure |
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| Formula |
C21H16FN3O3S2
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| Molecular Weight |
441.509
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1cnn(Cc2nccs2)c(=O)c1-c1ccc(F)cc1
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| InChI |
InChI=1S/C21H16FN3O3S2/c1-30(27,28)17-8-4-14(5-9-17)18-12-24-25(13-19-23-10-11-29-19)21(26)20(18)15-2-6-16(22)7-3-15/h2-12H,13H2,1H3
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| InChIKey |
HUQIOADISQYXAW-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