General Information of the Compound
| Compound ID |
CP0471001
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| Compound Name |
N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)-4-(1-methylsulfonylpiperidin-4-yl)oxybenzenesulfonamide
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| Structure |
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| Formula |
C25H37N3O6S3
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| Molecular Weight |
571.787
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| Canonical SMILES |
CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(OC2CCN(CC2)S(C)(=O)=O)c(c1)S(C)(=N)=O
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| InChI |
InChI=1S/C25H37N3O6S3/c1-6-20-7-9-21(10-8-20)28(18-19(2)3)37(32,33)23-11-12-24(25(17-23)35(4,26)29)34-22-13-15-27(16-14-22)36(5,30)31/h7-12,17,19,22,26H,6,13-16,18H2,1-5H3
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| InChIKey |
WQXWSUZBSKGNPR-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