General Information of the Compound
| Compound ID |
CP0125964
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| Compound Name |
2-benzylsulfonyl-5-chloro-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C20H18ClN3O4S
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| Molecular Weight |
431.901
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| Canonical SMILES |
COc1ccc(CNC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
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| InChI |
InChI=1S/C20H18ClN3O4S/c1-28-16-9-7-14(8-10-16)11-22-19(25)18-17(21)12-23-20(24-18)29(26,27)13-15-5-3-2-4-6-15/h2-10,12H,11,13H2,1H3,(H,22,25)
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| InChIKey |
LIXIMQZHDCMBFG-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3