General Information of the Compound
| Compound ID |
CP0576085
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| Compound Name |
2-[2-fluoro-4-[[3-[2-methyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methylamino]phenoxy]acetic acid
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| Structure |
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| Formula |
C26H28FNO6S
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| Molecular Weight |
501.576
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| Canonical SMILES |
Cc1cc(OCCCS(C)(=O)=O)ccc1-c1cccc(CNc2ccc(OCC(O)=O)c(F)c2)c1
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| InChI |
InChI=1S/C26H28FNO6S/c1-18-13-22(33-11-4-12-35(2,31)32)8-9-23(18)20-6-3-5-19(14-20)16-28-21-7-10-25(24(27)15-21)34-17-26(29)30/h3,5-10,13-15,28H,4,11-12,16-17H2,1-2H3,(H,29,30)
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| InChIKey |
HHDGORPGLJTRKR-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