General Information of the Compound
| Compound ID |
CP0246496
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| Compound Name |
N-[5-[(1R)-2-[(1-dibenzofuran-2-ylsulfonylpiperidin-4-yl)amino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide
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| Structure |
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| Formula |
C26H29N3O7S2
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| Molecular Weight |
559.666
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| Canonical SMILES |
CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)S(=O)(=O)c1ccc2oc3ccccc3c2c1
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| InChI |
InChI=1S/C26H29N3O7S2/c1-37(32,33)28-22-14-17(6-8-23(22)30)24(31)16-27-18-10-12-29(13-11-18)38(34,35)19-7-9-26-21(15-19)20-4-2-3-5-25(20)36-26/h2-9,14-15,18,24,27-28,30-31H,10-13,16H2,1H3/t24-/m0/s1
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| InChIKey |
SHUMLMXHWRHUSZ-DEOSSOPVSA-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