General Information of the Compound
| Compound ID |
CP0393278
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| Compound Name |
1-(5-(4-chlorophenyl)-3-(4-(methylsulfonyl)phenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
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| Structure |
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| Formula |
C18H17ClN2O3S
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| Molecular Weight |
376.865
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| Canonical SMILES |
CC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C18H17ClN2O3S/c1-12(22)21-18(14-3-7-15(19)8-4-14)11-17(20-21)13-5-9-16(10-6-13)25(2,23)24/h3-10,18H,11H2,1-2H3
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| InChIKey |
QNSIXESSHMSQMT-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