General Information of the Compound
| Compound ID |
CP0412928
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| Compound Name |
2-benzylsulfonyl-5-chloro-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C20H18ClN3O5S
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| Molecular Weight |
447.9
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| Canonical SMILES |
COc1ccc(OC)c(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)c1
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| InChI |
InChI=1S/C20H18ClN3O5S/c1-28-14-8-9-17(29-2)16(10-14)23-19(25)18-15(21)11-22-20(24-18)30(26,27)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,23,25)
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| InChIKey |
IIVFQIWIHKVKTD-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