General Information of the Compound
| Compound ID |
CP0374182
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| Compound Name |
2-Benzyl-4-cyclopropylmethoxy-5-(4-methanesulfonyl-phenyl)-2H-pyridazin-3-one
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| Structure |
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| Formula |
C22H22N2O4S
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| Molecular Weight |
410.495
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1cnn(Cc2ccccc2)c(=O)c1OCC1CC1
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| InChI |
InChI=1S/C22H22N2O4S/c1-29(26,27)19-11-9-18(10-12-19)20-13-23-24(14-16-5-3-2-4-6-16)22(25)21(20)28-15-17-7-8-17/h2-6,9-13,17H,7-8,14-15H2,1H3
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| InChIKey |
FTANNSIJDUITEF-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