General Information of the Compound
| Compound ID |
CP0242599
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| Compound Name |
[6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzoate
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| Structure |
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| Formula |
C18H14N2O4S
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| Molecular Weight |
354.387
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| Canonical SMILES |
Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccccc3)co2)n1
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| InChI |
InChI=1S/C18H14N2O4S/c1-12-7-8-19-18(20-12)25-11-14-9-15(21)16(10-23-14)24-17(22)13-5-3-2-4-6-13/h2-10H,11H2,1H3
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| InChIKey |
ICIIACBRZKBEKZ-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