General Information of the Compound
| Compound ID |
CP0519844
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| Compound Name |
2,2-dimethyl-1-[3-(4-methylsulfonylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
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| Structure |
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| Formula |
C15H20N2O3S
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| Molecular Weight |
308.403
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| Canonical SMILES |
CC(C)(C)C(=O)N1N=CCC1c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C15H20N2O3S/c1-15(2,3)14(18)17-13(9-10-16-17)11-5-7-12(8-6-11)21(4,19)20/h5-8,10,13H,9H2,1-4H3
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| InChIKey |
BNEBONHNRMQHEE-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