General Information of the Compound
| Compound ID |
CP0489385
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| Compound Name |
2-[(2,3-difluorophenyl)methylsulfanyl]-4-(4-hydroxyphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C18H11F2N3O2S
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| Molecular Weight |
371.368
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| Canonical SMILES |
Oc1ccc(cc1)-c1nc(SCc2cccc(F)c2F)nc(O)c1C#N
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| InChI |
InChI=1S/C18H11F2N3O2S/c19-14-3-1-2-11(15(14)20)9-26-18-22-16(13(8-21)17(25)23-18)10-4-6-12(24)7-5-10/h1-7,24H,9H2,(H,22,23,25)
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| InChIKey |
FTQJLHUUJSGNRK-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