General Information of the Compound
| Compound ID |
CP0476692
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| Compound Name |
2-(2,2-Dimethyl-cyclopropylmethyl)-4-(4-fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2H-pyridazin-3-one
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| Structure |
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| Formula |
C23H23FN2O3S
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| Molecular Weight |
426.513
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| Canonical SMILES |
CC1(C)CC1Cn1ncc(-c2ccc(cc2)S(C)(=O)=O)c(-c2ccc(F)cc2)c1=O
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| InChI |
InChI=1S/C23H23FN2O3S/c1-23(2)12-17(23)14-26-22(27)21(16-4-8-18(24)9-5-16)20(13-25-26)15-6-10-19(11-7-15)30(3,28)29/h4-11,13,17H,12,14H2,1-3H3
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| InChIKey |
JHLKLBNQQLKWOW-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