General Information of the Compound
| Compound ID |
CP0461514
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| Compound Name |
N-(6-methoxypyridin-3-yl)-N-[[5-(2-methylphenyl)pyridin-2-yl]methyl]-3-methylsulfonylbenzenesulfonamide
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| Structure |
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| Formula |
C26H25N3O5S2
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| Molecular Weight |
523.636
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| Canonical SMILES |
COc1ccc(cn1)N(Cc1ccc(cn1)-c1ccccc1C)S(=O)(=O)c1cccc(c1)S(C)(=O)=O
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| InChI |
InChI=1S/C26H25N3O5S2/c1-19-7-4-5-10-25(19)20-11-12-21(27-16-20)18-29(22-13-14-26(34-2)28-17-22)36(32,33)24-9-6-8-23(15-24)35(3,30)31/h4-17H,18H2,1-3H3
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| InChIKey |
VPHSQJGNZVZFJH-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