General Information of the Compound
| Compound ID |
CP0515396
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| Compound Name |
4-cyclopropyl-2-[(2,3-difluorophenyl)methylsulfanyl]-1H-pyrimidin-6-one
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| Structure |
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| Formula |
C14H12F2N2OS
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| Molecular Weight |
294.326
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| Canonical SMILES |
Oc1cc(nc(SCc2cccc(F)c2F)n1)C1CC1
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| InChI |
InChI=1S/C14H12F2N2OS/c15-10-3-1-2-9(13(10)16)7-20-14-17-11(8-4-5-8)6-12(19)18-14/h1-3,6,8H,4-5,7H2,(H,17,18,19)
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| InChIKey |
GDQKGVCSBBIFKK-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