General Information of the Compound
| Compound ID |
CP0460511
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| Compound Name |
2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3-(3,3-dimethyl-butoxy)-3,3-diphenyl-propionic acid
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| Structure |
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| Formula |
C27H32N2O6
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| Molecular Weight |
480.561
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| Canonical SMILES |
COc1cc(OC)nc(OC(C(O)=O)C(OCCC(C)(C)C)(c2ccccc2)c2ccccc2)n1
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| InChI |
InChI=1S/C27H32N2O6/c1-26(2,3)16-17-34-27(19-12-8-6-9-13-19,20-14-10-7-11-15-20)23(24(30)31)35-25-28-21(32-4)18-22(29-25)33-5/h6-15,18,23H,16-17H2,1-5H3,(H,30,31)
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| InChIKey |
PPUGAGCZTJDLOJ-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