General Information of the Compound
| Compound ID |
CP0103089
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| Compound Name |
5-chloranyl-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-methylsulfonyl-pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C20H19ClN4O5S2
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| Molecular Weight |
494.982
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| Canonical SMILES |
CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(C)(=O)=O)cc1
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| InChI |
InChI=1S/C20H19ClN4O5S2/c1-3-25(15-7-5-4-6-8-15)32(29,30)16-11-9-14(10-12-16)23-19(26)18-17(21)13-22-20(24-18)31(2,27)28/h4-13H,3H2,1-2H3,(H,23,26)
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| InChIKey |
SGPQBOAMFAPZDO-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3