General Information of the Compound
| Compound ID |
CP0449006
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| Compound Name |
5-(4-Methanesulfonyl-phenyl)-4-phenyl-2-(2,2,2-trifluoro-ethyl)-2H-pyridazin-3-one
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| Structure |
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| Formula |
C19H15F3N2O3S
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| Molecular Weight |
408.401
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1cnn(CC(F)(F)F)c(=O)c1-c1ccccc1
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| InChI |
InChI=1S/C19H15F3N2O3S/c1-28(26,27)15-9-7-13(8-10-15)16-11-23-24(12-19(20,21)22)18(25)17(16)14-5-3-2-4-6-14/h2-11H,12H2,1H3
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| InChIKey |
ZKTVARMORRKSIG-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