General Information of the Compound
| Compound ID |
CP0354863
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| Compound Name |
2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-5-phenylmethoxypyran-4-one
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| Structure |
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| Formula |
C18H16N2O3S
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| Molecular Weight |
340.404
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| Canonical SMILES |
Cc1ccnc(SCc2cc(=O)c(OCc3ccccc3)co2)n1
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| InChI |
InChI=1S/C18H16N2O3S/c1-13-7-8-19-18(20-13)24-12-15-9-16(21)17(11-22-15)23-10-14-5-3-2-4-6-14/h2-9,11H,10,12H2,1H3
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| InChIKey |
HOYLRFRDUCXCIF-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