General Information of the Compound
| Compound ID |
CP0159929
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| Compound Name |
[6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-methylbenzoate
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| Structure |
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| Formula |
C19H16N2O4S
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| Molecular Weight |
368.414
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| Canonical SMILES |
Cc1ccc(cc1)C(=O)Oc1coc(CSc2nccc(C)n2)cc1=O
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| InChI |
InChI=1S/C19H16N2O4S/c1-12-3-5-14(6-4-12)18(23)25-17-10-24-15(9-16(17)22)11-26-19-20-8-7-13(2)21-19/h3-10H,11H2,1-2H3
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| InChIKey |
HUEHDGRMUXYTPD-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