General Information of the Compound
| Compound ID |
CP0850714
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| Compound Name |
N-[4-Chloro-2-(1-oxy-pyridine-3-carbonyl)-phenyl]-4-(4-methyl-tetrahydropyran-4-yl)-benzenesulfonamide
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| Structure |
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| Formula |
C24H23ClN2O5S
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| Molecular Weight |
486.977
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| Canonical SMILES |
CC1(c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3ccc[n+]([O-])c3)cc2)CCOCC1
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| InChI |
InChI=1S/C24H23ClN2O5S/c1-24(10-13-32-14-11-24)18-4-7-20(8-5-18)33(30,31)26-22-9-6-19(25)15-21(22)23(28)17-3-2-12-27(29)16-17/h2-9,12,15-16,26H,10-11,13-14H2,1H3
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| InChIKey |
RAMAQVUCIPMWQL-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