General Information of the Compound
| Compound ID |
CP0911336
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| Compound Name |
5-((4-chlorophenylsulfonyl)methyl)-1H-pyrazol-3(2H)-one
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| Structure |
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| Formula |
C10H9ClN2O3S
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| Molecular Weight |
272.713
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| Canonical SMILES |
O=c1cc(CS(=O)(=O)c2ccc(Cl)cc2)[nH][nH]1
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| InChI |
InChI=1S/C10H9ClN2O3S/c11-7-1-3-9(4-2-7)17(15,16)6-8-5-10(14)13-12-8/h1-5H,6H2,(H2,12,13,14)
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| InChIKey |
YTPVCZIIXMZKHA-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