General Information of the Compound
| Compound ID |
CP0398793
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| Compound Name |
1-(5-(4-methoxyphenyl)-3-(4-(methylsulfonyl)phenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
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| Structure |
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| Formula |
C19H20N2O4S
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| Molecular Weight |
372.446
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| Canonical SMILES |
COc1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C19H20N2O4S/c1-13(22)21-19(15-4-8-16(25-2)9-5-15)12-18(20-21)14-6-10-17(11-7-14)26(3,23)24/h4-11,19H,12H2,1-3H3
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| InChIKey |
UYIIURKRIHGLNP-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