General Information of the Compound
| Compound ID |
CP0433409
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| Compound Name |
ethyl 6-tert-butyl-2-[3-[(4-chlorophenyl)sulfonylamino]phenoxy]-3-cyanopyridine-4-carboxylate
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| Structure |
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| Formula |
C25H24ClN3O5S
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| Molecular Weight |
514.003
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| Canonical SMILES |
CCOC(=O)c1cc(nc(Oc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1C#N)C(C)(C)C
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| InChI |
InChI=1S/C25H24ClN3O5S/c1-5-33-24(30)20-14-22(25(2,3)4)28-23(21(20)15-27)34-18-8-6-7-17(13-18)29-35(31,32)19-11-9-16(26)10-12-19/h6-14,29H,5H2,1-4H3
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| InChIKey |
RBRDEWBRPQBVDG-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