General Information of the Compound
| Compound ID |
CP0403655
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| Compound Name |
2-Cyclopropyl-4-(4-fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2H-pyridazin-3-one
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| Structure |
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| Formula |
C20H17FN2O3S
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| Molecular Weight |
384.432
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1cnn(C2CC2)c(=O)c1-c1ccc(F)cc1
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| InChI |
InChI=1S/C20H17FN2O3S/c1-27(25,26)17-10-4-13(5-11-17)18-12-22-23(16-8-9-16)20(24)19(18)14-2-6-15(21)7-3-14/h2-7,10-12,16H,8-9H2,1H3
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| InChIKey |
QMHLMOLMMIDGSI-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