General Information of the Compound
| Compound ID |
CP0481979
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| Compound Name |
N-[[1-[[4-(2-methylpropylsulfonylamino)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 |
CC(C)CS(=O)(=O)Nc1ccc(CN2CCC(CNC(=O)c3cccc4OCCOc34)CC2)cc1
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| InChI |
InChI=1S/C26H35N3O5S/c1-19(2)18-35(31,32)28-22-8-6-21(7-9-22)17-29-12-10-20(11-13-29)16-27-26(30)23-4-3-5-24-25(23)34-15-14-33-24/h3-9,19-20,28H,10-18H2,1-2H3,(H,27,30)
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| InChIKey |
WNMMOJSDGZRBPV-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