General Information of the Compound
| Compound ID |
CP0458323
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| Compound Name |
4-hydroxy-2-[2-(4-methylphenyl)ethylsulfanyl]-1H-pyrimidin-6-one
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| Structure |
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| Formula |
C13H14N2O2S
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| Molecular Weight |
262.334
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| Canonical SMILES |
Cc1ccc(CCSc2nc(O)cc(=O)[nH]2)cc1
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| InChI |
InChI=1S/C13H14N2O2S/c1-9-2-4-10(5-3-9)6-7-18-13-14-11(16)8-12(17)15-13/h2-5,8H,6-7H2,1H3,(H2,14,15,16,17)
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| InChIKey |
GRGMQJDZCJASMY-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