General Information of the Compound
| Compound ID |
CP0086776
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| Compound Name |
4-[(4-methyl-6-phenylpyrimidin-2-yl)sulfanylmethyl]benzoic acid
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| Structure |
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| Formula |
C19H16N2O2S
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| Molecular Weight |
336.416
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| Canonical SMILES |
Cc1cc(nc(SCc2ccc(cc2)C(O)=O)n1)-c1ccccc1
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| InChI |
InChI=1S/C19H16N2O2S/c1-13-11-17(15-5-3-2-4-6-15)21-19(20-13)24-12-14-7-9-16(10-8-14)18(22)23/h2-11H,12H2,1H3,(H,22,23)
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| InChIKey |
QPMFXKLDLDBXFX-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