General Information of the Compound
| Compound ID |
CP0538724
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| Compound Name |
2-[4-[[3-[2,6-dimethyl-4-(2-methylpropoxy)phenyl]phenyl]methoxy]phenyl]sulfonylacetic acid
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| Structure |
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| Formula |
C27H30O6S
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| Molecular Weight |
482.598
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| Canonical SMILES |
CC(C)COc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(cc2)S(=O)(=O)CC(O)=O)c1
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| InChI |
InChI=1S/C27H30O6S/c1-18(2)15-32-24-12-19(3)27(20(4)13-24)22-7-5-6-21(14-22)16-33-23-8-10-25(11-9-23)34(30,31)17-26(28)29/h5-14,18H,15-17H2,1-4H3,(H,28,29)
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| InChIKey |
HNNBLOMEWJORAL-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