General Information of the Compound
| Compound ID |
CP0487910
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| Compound Name |
4-tert-butyl-2-[(2,3-difluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C16H15F2N3OS
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| Molecular Weight |
335.379
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| Canonical SMILES |
CC(C)(C)c1nc(SCc2cccc(F)c2F)nc(O)c1C#N
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| InChI |
InChI=1S/C16H15F2N3OS/c1-16(2,3)13-10(7-19)14(22)21-15(20-13)23-8-9-5-4-6-11(17)12(9)18/h4-6H,8H2,1-3H3,(H,20,21,22)
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| InChIKey |
KAVMSAOLDODQNJ-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