General Information of the Compound
| Compound ID |
CP0453462
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| Compound Name |
4-[[4-[[4-(2-hydroxy-2-methylpropoxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol
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| Structure |
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| Formula |
C23H34N2O6
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| Molecular Weight |
434.533
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| Canonical SMILES |
CC(C)(O)COc1cccc2onc(OCC3CCN(CC4(O)CCOCC4)CC3)c12
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| InChI |
InChI=1S/C23H34N2O6/c1-22(2,26)16-30-18-4-3-5-19-20(18)21(24-31-19)29-14-17-6-10-25(11-7-17)15-23(27)8-12-28-13-9-23/h3-5,17,26-27H,6-16H2,1-2H3
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| InChIKey |
YQGFHIVRHGMZCA-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