General Information of the Compound
| Compound ID |
CP0952467
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| Compound Name |
N-[4-Chloro-2-(6-methyl-1-oxy-pyridine-3-carbonyl)-phenyl]-4-(4-methyl-tetrahydropyran-4-yl)-benzenesulfonamide
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| Structure |
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| Formula |
C25H25ClN2O5S
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| Molecular Weight |
501.004
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| Canonical SMILES |
Cc1ccc(C(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(C3(C)CCOCC3)cc2)c[n+]1[O-]
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| InChI |
InChI=1S/C25H25ClN2O5S/c1-17-3-4-18(16-28(17)30)24(29)22-15-20(26)7-10-23(22)27-34(31,32)21-8-5-19(6-9-21)25(2)11-13-33-14-12-25/h3-10,15-16,27H,11-14H2,1-2H3
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| InChIKey |
ITIVVPSRJXMQDB-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