General Information of the Compound
| Compound ID |
CP0215430
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| Compound Name |
4-[(2,6-difluorophenyl)methyl]-5-methyl-2-phenylsulfanyl-1H-pyrimidin-6-one
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| Structure |
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| Formula |
C18H14F2N2OS
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| Molecular Weight |
344.386
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| Canonical SMILES |
Cc1c(Cc2c(F)cccc2F)nc(Sc2ccccc2)[nH]c1=O
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| InChI |
InChI=1S/C18H14F2N2OS/c1-11-16(10-13-14(19)8-5-9-15(13)20)21-18(22-17(11)23)24-12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,21,22,23)
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| InChIKey |
ROMCAYZHJKGTLM-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