General Information of the Compound
| Compound ID |
CP0536694
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| Compound Name |
4-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylbenzoic acid
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| Structure |
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| Formula |
C18H14N2O2S
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| Molecular Weight |
322.389
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| Canonical SMILES |
Cc1cc(nc(Sc2ccc(cc2)C(O)=O)n1)-c1ccccc1
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| InChI |
InChI=1S/C18H14N2O2S/c1-12-11-16(13-5-3-2-4-6-13)20-18(19-12)23-15-9-7-14(8-10-15)17(21)22/h2-11H,1H3,(H,21,22)
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| InChIKey |
WPQBSDQOYBAQND-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