General Information of the Compound
| Compound ID |
CP0453463
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| Compound Name |
3-[(1-butylpiperidin-4-yl)methoxy]-4-(2,2-dimethylpropoxy)-1,2-benzoxazole
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| Structure |
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| Formula |
C22H34N2O3
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| Molecular Weight |
374.525
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| Canonical SMILES |
CCCCN1CCC(COc2noc3cccc(OCC(C)(C)C)c23)CC1
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| InChI |
InChI=1S/C22H34N2O3/c1-5-6-12-24-13-10-17(11-14-24)15-25-21-20-18(26-16-22(2,3)4)8-7-9-19(20)27-23-21/h7-9,17H,5-6,10-16H2,1-4H3
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| InChIKey |
GIAFMALBXILRAW-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