General Information of the Compound
| Compound ID |
CP0554626
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| Compound Name |
5-(4-Methanesulfonyl-phenyl)-2-(2-methyl-benzyl)-4-phenyl-2H-pyridazin-3-one
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| Structure |
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| Formula |
C25H22N2O3S
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| Molecular Weight |
430.529
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| Canonical SMILES |
Cc1ccccc1Cn1ncc(-c2ccc(cc2)S(C)(=O)=O)c(-c2ccccc2)c1=O
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| InChI |
InChI=1S/C25H22N2O3S/c1-18-8-6-7-11-21(18)17-27-25(28)24(20-9-4-3-5-10-20)23(16-26-27)19-12-14-22(15-13-19)31(2,29)30/h3-16H,17H2,1-2H3
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| InChIKey |
WNCYUQUVRZHMFF-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