General Information of the Compound
| Compound ID |
CP0463338
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| Compound Name |
2-tert-Butyl-5-(4-methanesulfonyl-phenyl)-4-phenyl-2H-pyridazin-3-one
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| Structure |
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| Formula |
C21H22N2O3S
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| Molecular Weight |
382.485
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| Canonical SMILES |
CC(C)(C)n1ncc(-c2ccc(cc2)S(C)(=O)=O)c(-c2ccccc2)c1=O
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| InChI |
InChI=1S/C21H22N2O3S/c1-21(2,3)23-20(24)19(16-8-6-5-7-9-16)18(14-22-23)15-10-12-17(13-11-15)27(4,25)26/h5-14H,1-4H3
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| InChIKey |
ZUQFJMIWJIBLTJ-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