General Information of the Compound
| Compound ID |
CP0386315
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| Compound Name |
N-[[1-[[4-(cyclohexylsulfonylamino)phenyl]methyl]piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
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| Structure |
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| Formula |
C28H37N3O5S
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| Molecular Weight |
527.687
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| Canonical SMILES |
O=C(NCC1CCN(Cc2ccc(NS(=O)(=O)C3CCCCC3)cc2)CC1)c1cccc2OCCOc12
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| InChI |
InChI=1S/C28H37N3O5S/c32-28(25-7-4-8-26-27(25)36-18-17-35-26)29-19-21-13-15-31(16-14-21)20-22-9-11-23(12-10-22)30-37(33,34)24-5-2-1-3-6-24/h4,7-12,21,24,30H,1-3,5-6,13-20H2,(H,29,32)
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| InChIKey |
KHEWHPPMWZFSSJ-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