General Information of the Compound
| Compound ID |
CP0575896
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| Compound Name |
1-[(3-hydroxyphenyl)methyl]-5-[2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one
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| Structure |
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| Formula |
C18H14F3N3O4S
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| Molecular Weight |
425.388
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| Canonical SMILES |
CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(=O)n(Cc2cccc(O)c2)c1
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| InChI |
InChI=1S/C18H14F3N3O4S/c1-29(27,28)17-22-14(8-15(23-17)18(19,20)21)12-5-6-16(26)24(10-12)9-11-3-2-4-13(25)7-11/h2-8,10,25H,9H2,1H3
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| InChIKey |
XKPCZFAWDOCFKL-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