General Information of the Compound
| Compound ID |
CP0398053
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| Compound Name |
N-[[1-[[4-(butylsulfonylamino)phenyl]methyl]piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
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| Structure |
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| Formula |
C26H35N3O5S
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| Molecular Weight |
501.649
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| Canonical SMILES |
CCCCS(=O)(=O)Nc1ccc(CN2CCC(CNC(=O)c3cccc4OCCOc34)CC2)cc1
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| InChI |
InChI=1S/C26H35N3O5S/c1-2-3-17-35(31,32)28-22-9-7-21(8-10-22)19-29-13-11-20(12-14-29)18-27-26(30)23-5-4-6-24-25(23)34-16-15-33-24/h4-10,20,28H,2-3,11-19H2,1H3,(H,27,30)
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| InChIKey |
UWMQCURVMGOBEO-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