General Information of the Compound
| Compound ID |
CP0339377
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| Compound Name |
[4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4-phenylbenzoate
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| Structure |
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| Formula |
C23H16N2O4S
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| Molecular Weight |
416.458
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| Canonical SMILES |
O=C(Oc1coc(CSc2ncccn2)cc1=O)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C23H16N2O4S/c26-20-13-19(15-30-23-24-11-4-12-25-23)28-14-21(20)29-22(27)18-9-7-17(8-10-18)16-5-2-1-3-6-16/h1-14H,15H2
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| InChIKey |
KDWWUDFITPYSKR-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