General Information of the Compound
| Compound ID |
CP0545220
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| Compound Name |
2-[4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methoxy]phenyl]sulfonylacetic acid
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| Structure |
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| Formula |
C20H19NO6S
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| Molecular Weight |
401.44
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| Canonical SMILES |
Cc1noc(C)c1-c1cccc(COc2ccc(cc2)S(=O)(=O)CC(O)=O)c1
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| InChI |
InChI=1S/C20H19NO6S/c1-13-20(14(2)27-21-13)16-5-3-4-15(10-16)11-26-17-6-8-18(9-7-17)28(24,25)12-19(22)23/h3-10H,11-12H2,1-2H3,(H,22,23)
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| InChIKey |
JAGNKYHZJAHHRR-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