General Information of the Compound
| Compound ID |
CP0935576
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| Compound Name |
3-(5-chloro-2-(4-((2S,6R)-2,6-dimethylmorpholino)phenylsulfonamido)benzoyl)pyridine 1-oxide
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| Structure |
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| Formula |
C24H24ClN3O5S
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| Molecular Weight |
501.992
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| Canonical SMILES |
C[C@@H]1CN(c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3ccc[n+]([O-])c3)cc2)C[C@H](C)O1
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| InChI |
InChI=1S/C24H24ClN3O5S/c1-16-13-27(14-17(2)33-16)20-6-8-21(9-7-20)34(31,32)26-23-10-5-19(25)12-22(23)24(29)18-4-3-11-28(30)15-18/h3-12,15-17,26H,13-14H2,1-2H3/t16-,17+
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| InChIKey |
LSOFGLZAFFQZGB-CALCHBBNSA-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