General Information of the Compound
| Compound ID |
CP0057798
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| Compound Name |
4-[(2,6-dichlorophenyl)methyl]-2-(2,4-difluorophenyl)sulfanyl-5-methyl-1H-pyrimidin-6-one
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| Structure |
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| Formula |
C18H12Cl2F2N2OS
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| Molecular Weight |
413.276
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| Canonical SMILES |
Cc1c(Cc2c(Cl)cccc2Cl)nc(Sc2ccc(F)cc2F)[nH]c1=O
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| InChI |
InChI=1S/C18H12Cl2F2N2OS/c1-9-15(8-11-12(19)3-2-4-13(11)20)23-18(24-17(9)25)26-16-6-5-10(21)7-14(16)22/h2-7H,8H2,1H3,(H,23,24,25)
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| InChIKey |
UKFUSHNRNJTGQX-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