General Information of the Compound
| Compound ID |
CP0866084
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| Compound Name |
4-(2-(4-tert-butylphenylsulfonamido)-5-(pyrrolidin-1-ylsulfonyl)benzoyl)pyridine 1-oxide
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| Structure |
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| Formula |
C26H29N3O6S2
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| Molecular Weight |
543.667
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| Canonical SMILES |
CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2C(=O)c2cc[n+]([O-])cc2)cc1
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| InChI |
InChI=1S/C26H29N3O6S2/c1-26(2,3)20-6-8-21(9-7-20)36(32,33)27-24-11-10-22(37(34,35)29-14-4-5-15-29)18-23(24)25(30)19-12-16-28(31)17-13-19/h6-13,16-18,27H,4-5,14-15H2,1-3H3
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| InChIKey |
PVKHEMVPVVXABS-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