General Information of the Compound
| Compound ID |
CP0508248
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| Compound Name |
2-[(2,3-difluorophenyl)methylsulfanyl]-6-oxo-4-(4-propan-2-yloxyphenyl)-1H-pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C21H17F2N3O2S
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| Molecular Weight |
413.449
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| Canonical SMILES |
CC(C)Oc1ccc(cc1)-c1nc(SCc2cccc(F)c2F)nc(O)c1C#N
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| InChI |
InChI=1S/C21H17F2N3O2S/c1-12(2)28-15-8-6-13(7-9-15)19-16(10-24)20(27)26-21(25-19)29-11-14-4-3-5-17(22)18(14)23/h3-9,12H,11H2,1-2H3,(H,25,26,27)
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| InChIKey |
SHXMDYFDHVOKSU-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