General Information of the Compound
| Compound ID |
CP0510285
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| Compound Name |
N-[[1-[[4-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
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| Structure |
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| Formula |
C23H29N3O5S
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| Molecular Weight |
459.568
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| Canonical SMILES |
CS(=O)(=O)Nc1ccc(CN2CCC(CNC(=O)c3cccc4OCCOc34)CC2)cc1
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| InChI |
InChI=1S/C23H29N3O5S/c1-32(28,29)25-19-7-5-18(6-8-19)16-26-11-9-17(10-12-26)15-24-23(27)20-3-2-4-21-22(20)31-14-13-30-21/h2-8,17,25H,9-16H2,1H3,(H,24,27)
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| InChIKey |
JYTIGZZDBDUBFR-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