General Information of the Compound
| Compound ID |
CP0575527
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| Compound Name |
3-[[5-[2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-yl]-2-oxopyridin-1-yl]methyl]benzonitrile
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| Structure |
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| Formula |
C19H13F3N4O3S
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| Molecular Weight |
434.399
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| Canonical SMILES |
CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(=O)n(Cc2cccc(c2)C#N)c1
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| InChI |
InChI=1S/C19H13F3N4O3S/c1-30(28,29)18-24-15(8-16(25-18)19(20,21)22)14-5-6-17(27)26(11-14)10-13-4-2-3-12(7-13)9-23/h2-8,11H,10H2,1H3
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| InChIKey |
RCZSVKJJLJDCQX-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