General Information of the Compound
| Compound ID |
CP0454876
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| Compound Name |
2-Benzyl-5-(4-methanesulfonyl-phenyl)-4-phenylsulfanyl-2H-pyridazin-3-one
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| Structure |
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| Formula |
C24H20N2O3S2
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| Molecular Weight |
448.569
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1cnn(Cc2ccccc2)c(=O)c1Sc1ccccc1
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| InChI |
InChI=1S/C24H20N2O3S2/c1-31(28,29)21-14-12-19(13-15-21)22-16-25-26(17-18-8-4-2-5-9-18)24(27)23(22)30-20-10-6-3-7-11-20/h2-16H,17H2,1H3
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| InChIKey |
KDTLJGOHMIZKCT-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