General Information of the Compound
| Compound ID |
CP0388928
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| Compound Name |
4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide
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| Structure |
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| Formula |
C21H21F3N4O6S
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| Molecular Weight |
514.482
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| Canonical SMILES |
COc1ccc(cc1OC)-c1cc(nc(n1)S(=O)(=O)CCCC(=O)Nc1cc(C)on1)C(F)(F)F
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| InChI |
InChI=1S/C21H21F3N4O6S/c1-12-9-18(28-34-12)27-19(29)5-4-8-35(30,31)20-25-14(11-17(26-20)21(22,23)24)13-6-7-15(32-2)16(10-13)33-3/h6-7,9-11H,4-5,8H2,1-3H3,(H,27,28,29)
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| InChIKey |
SLHLOLWJUOMYCD-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