General Information of the Compound
| Compound ID |
CP0241136
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| Compound Name |
4-[[(3R)-3-methoxypiperidin-1-yl]methyl]-5-methyl-2-(3-phenoxyphenyl)-1,3-oxazole
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| Structure |
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| Formula |
C23H26N2O3
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| Molecular Weight |
378.472
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| Canonical SMILES |
CO[C@@H]1CCCN(Cc2nc(oc2C)-c2cccc(Oc3ccccc3)c2)C1
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| InChI |
InChI=1S/C23H26N2O3/c1-17-22(16-25-13-7-12-21(15-25)26-2)24-23(27-17)18-8-6-11-20(14-18)28-19-9-4-3-5-10-19/h3-6,8-11,14,21H,7,12-13,15-16H2,1-2H3/t21-/m1/s1
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| InChIKey |
XUZBEGZVXFFEAV-OAQYLSRUSA-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