General Information of the Compound
| Compound ID |
CP0396580
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| Compound Name |
4-[[4-[[4-(oxan-4-yloxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol
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| Structure |
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| Formula |
C24H34N2O6
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| Molecular Weight |
446.544
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| Canonical SMILES |
OC1(CN2CCC(COc3noc4cccc(OC5CCOCC5)c34)CC2)CCOCC1
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| InChI |
InChI=1S/C24H34N2O6/c27-24(8-14-29-15-9-24)17-26-10-4-18(5-11-26)16-30-23-22-20(2-1-3-21(22)32-25-23)31-19-6-12-28-13-7-19/h1-3,18-19,27H,4-17H2
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| InChIKey |
FXBISPPYROAIHZ-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