General Information of the Compound
| Compound ID |
CP0534924
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| Compound Name |
2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3-methoxy-3,3-di-m-tolyl-propionic acid
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| Structure |
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| Formula |
C24H26N2O6
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| Molecular Weight |
438.48
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| Canonical SMILES |
COc1cc(OC)nc(OC(C(O)=O)C(OC)(c2cccc(C)c2)c2cccc(C)c2)n1
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| InChI |
InChI=1S/C24H26N2O6/c1-15-8-6-10-17(12-15)24(31-5,18-11-7-9-16(2)13-18)21(22(27)28)32-23-25-19(29-3)14-20(26-23)30-4/h6-14,21H,1-5H3,(H,27,28)
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| InChIKey |
ZPGGGSYEPLVKGB-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