General Information of the Compound
| Compound ID |
CP0409735
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| Compound Name |
2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3-hydroxy-3,3-diphenyl-propionic acid
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| Structure |
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| Formula |
C21H20N2O6
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| Molecular Weight |
396.399
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| Canonical SMILES |
COc1cc(OC)nc(OC(C(O)=O)C(O)(c2ccccc2)c2ccccc2)n1
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| InChI |
InChI=1S/C21H20N2O6/c1-27-16-13-17(28-2)23-20(22-16)29-18(19(24)25)21(26,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,18,26H,1-2H3,(H,24,25)
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| InChIKey |
XTPVBLFDYBIPGU-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