General Information of the Compound
| Compound ID |
CP0455359
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| Compound Name |
4-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2-thiophen-2-ylmethyl-2H-pyridazin-3-one
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| Structure |
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| Formula |
C22H17FN2O3S2
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| Molecular Weight |
440.521
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1cnn(Cc2cccs2)c(=O)c1-c1ccc(F)cc1
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| InChI |
InChI=1S/C22H17FN2O3S2/c1-30(27,28)19-10-6-15(7-11-19)20-13-24-25(14-18-3-2-12-29-18)22(26)21(20)16-4-8-17(23)9-5-16/h2-13H,14H2,1H3
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| InChIKey |
VNSGKCTWIGVDCV-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