General Information of the Compound
| Compound ID |
CP0190567
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| Compound Name |
3-(2,6-dichlorophenyl)-4-[(4-methylsulfonylphenoxy)methyl]-5-propan-2-yl-1,2-oxazole
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| Structure |
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| Formula |
C20H19Cl2NO4S
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| Molecular Weight |
440.348
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(cc1)S(C)(=O)=O)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C20H19Cl2NO4S/c1-12(2)20-15(11-26-13-7-9-14(10-8-13)28(3,24)25)19(23-27-20)18-16(21)5-4-6-17(18)22/h4-10,12H,11H2,1-3H3
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| InChIKey |
LUKHWNXQGCISDC-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