General Information of the Compound
| Compound ID |
CP0188285
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| Compound Name |
5-chloranyl-2-ethylsulfonyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C14H14ClN3O3S
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| Molecular Weight |
339.804
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| Canonical SMILES |
CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(C)cc1
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| InChI |
InChI=1S/C14H14ClN3O3S/c1-3-22(20,21)14-16-8-11(15)12(18-14)13(19)17-10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,17,19)
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| InChIKey |
LRHCORWGZWHMCH-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: PT06124, Paired box protein Pax-8