General Information of the Compound
| Compound ID |
CP0167298
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| Compound Name |
4-[(2,6-dichlorophenyl)methyl]-2-(6-methoxypyridin-3-yl)sulfanyl-5-methyl-1H-pyrimidin-6-one
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| Structure |
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| Formula |
C18H15Cl2N3O2S
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| Molecular Weight |
408.31
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| Canonical SMILES |
COc1ccc(Sc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cn1
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| InChI |
InChI=1S/C18H15Cl2N3O2S/c1-10-15(8-12-13(19)4-3-5-14(12)20)22-18(23-17(10)24)26-11-6-7-16(25-2)21-9-11/h3-7,9H,8H2,1-2H3,(H,22,23,24)
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| InChIKey |
BXGQMSIGOYPUDR-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