General Information of the Compound
| Compound ID |
CP0487604
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| Compound Name |
2-(1,3-benzodioxol-5-yl)-N-[[4-tert-butyl-2-(4-methylpiperidin-1-yl)phenyl]methyl]propanamide
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| Structure |
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| Formula |
C27H36N2O3
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| Molecular Weight |
436.596
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| Canonical SMILES |
CC(C(=O)NCc1ccc(cc1N1CCC(C)CC1)C(C)(C)C)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C27H36N2O3/c1-18-10-12-29(13-11-18)23-15-22(27(3,4)5)8-6-21(23)16-28-26(30)19(2)20-7-9-24-25(14-20)32-17-31-24/h6-9,14-15,18-19H,10-13,16-17H2,1-5H3,(H,28,30)
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| InChIKey |
XRJBPZQKUWSLNA-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