General Information of the Compound
| Compound ID |
CP0906857
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| Compound Name |
5-((4-chloro-2,5-dimethylphenylsulfinyl)methyl)-1H-pyrazol-3(2H)-one
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| Structure |
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| Formula |
C12H13ClN2O2S
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| Molecular Weight |
284.768
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| Canonical SMILES |
Cc1cc([S+]([O-])Cc2cc(=O)[nH][nH]2)c(C)cc1Cl
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| InChI |
InChI=1S/C12H13ClN2O2S/c1-7-4-11(8(2)3-10(7)13)18(17)6-9-5-12(16)15-14-9/h3-5H,6H2,1-2H3,(H2,14,15,16)
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| InChIKey |
LLYDYCITFBXENR-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