General Information of the Compound
| Compound ID |
CP0429089
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| Compound Name |
N-(2-hydroxy-5-methylphenyl)-4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanamide
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| Structure |
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| Formula |
C20H18F3N3O4S2
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| Molecular Weight |
485.509
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| Canonical SMILES |
Cc1ccc(O)c(NC(=O)CCCS(=O)(=O)c2nc(cc(n2)C(F)(F)F)-c2cccs2)c1
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| InChI |
InChI=1S/C20H18F3N3O4S2/c1-12-6-7-15(27)13(10-12)24-18(28)5-3-9-32(29,30)19-25-14(16-4-2-8-31-16)11-17(26-19)20(21,22)23/h2,4,6-8,10-11,27H,3,5,9H2,1H3,(H,24,28)
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| InChIKey |
QDXIOLNSFIPXBH-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