General Information of the Compound
Compound ID |
CP0479847
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Compound Name |
2-((2R,3R)-2,3-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 |
C[C@@H]1[C@@H](C)C1Cn1ncc(-c2ccc(cc2)S(C)(=O)=O)c(-c2ccc(F)cc2)c1=O
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InChI |
InChI=1S/C23H23FN2O3S/c1-14-15(2)21(14)13-26-23(27)22(17-4-8-18(24)9-5-17)20(12-25-26)16-6-10-19(11-7-16)30(3,28)29/h4-12,14-15,21H,13H2,1-3H3/t14-,15-/m1/s1
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InChIKey |
HUPDAGNLIGTVIB-HUUCEWRRSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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