General Information of the Compound
| Compound ID |
CP0448090
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| Compound Name |
2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3,3-bis-(4-fluoro-phenyl)-3-methoxy-propionic acid
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| Structure |
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| Formula |
C22H20F2N2O6
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| Molecular Weight |
446.406
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| Canonical SMILES |
COc1cc(OC)nc(OC(C(O)=O)C(OC)(c2ccc(F)cc2)c2ccc(F)cc2)n1
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| InChI |
InChI=1S/C22H20F2N2O6/c1-29-17-12-18(30-2)26-21(25-17)32-19(20(27)28)22(31-3,13-4-8-15(23)9-5-13)14-6-10-16(24)11-7-14/h4-12,19H,1-3H3,(H,27,28)
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| InChIKey |
FTHTWZGSLVJZJB-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