General Information of the Compound
| Compound ID |
CP0407428
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| Compound Name |
5-(3-bromo-5-pyridin-2-ylphenyl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-oxazol-2-amine
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| Structure |
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| Formula |
C23H20BrN3O4S
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| Molecular Weight |
514.401
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2cc(Br)cc(c2)-c2ccccn2)c1
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| InChI |
InChI=1S/C23H20BrN3O4S/c1-3-32(28,29)18-7-8-21(30-2)20(13-18)27-23-26-14-22(31-23)16-10-15(11-17(24)12-16)19-6-4-5-9-25-19/h4-14H,3H2,1-2H3,(H,26,27)
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| InChIKey |
SPZMRCAVVHLMHS-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