General Information of the Compound
| Compound ID |
CP0215428
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| Compound Name |
2-(4-chlorophenyl)sulfanyl-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one
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| Structure |
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| Formula |
C18H13ClF2N2OS
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| Molecular Weight |
378.831
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| Canonical SMILES |
Cc1c(Cc2c(F)cccc2F)nc(Sc2ccc(Cl)cc2)[nH]c1=O
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| InChI |
InChI=1S/C18H13ClF2N2OS/c1-10-16(9-13-14(20)3-2-4-15(13)21)22-18(23-17(10)24)25-12-7-5-11(19)6-8-12/h2-8H,9H2,1H3,(H,22,23,24)
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| InChIKey |
RFNWXQWXVZTCAP-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