General Information of the Compound
| Compound ID |
CP0535022
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| Compound Name |
2-(1,3-benzodioxol-5-yl)-N-[[4-tert-butyl-2-(4-methylpiperidin-1-yl)phenyl]methyl]acetamide
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| Structure |
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| Formula |
C26H34N2O3
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| Molecular Weight |
422.569
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| Canonical SMILES |
CC1CCN(CC1)c1cc(ccc1CNC(=O)Cc1ccc2OCOc2c1)C(C)(C)C
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| InChI |
InChI=1S/C26H34N2O3/c1-18-9-11-28(12-10-18)22-15-21(26(2,3)4)7-6-20(22)16-27-25(29)14-19-5-8-23-24(13-19)31-17-30-23/h5-8,13,15,18H,9-12,14,16-17H2,1-4H3,(H,27,29)
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| InChIKey |
KZXRAQMKAQVDHH-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