General Information of the Compound
| Compound ID |
CP0404563
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| Compound Name |
1-(3-(4-(methylsulfonyl)phenyl)-5-p-tolyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone
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| Structure |
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| Formula |
C19H20N2O3S
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| Molecular Weight |
356.447
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| Canonical SMILES |
CC(=O)N1N=C(CC1c1ccc(C)cc1)c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C19H20N2O3S/c1-13-4-6-16(7-5-13)19-12-18(20-21(19)14(2)22)15-8-10-17(11-9-15)25(3,23)24/h4-11,19H,12H2,1-3H3
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| InChIKey |
JJYNQBZWIROMLA-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