General Information of the Compound
| Compound ID |
CP0445717
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| Compound Name |
3-[2-fluoro-4-[[7-(3-methylsulfonylpropoxy)-3,4-dihydro-2H-chromen-2-yl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C23H27FO7S
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| Molecular Weight |
466.527
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| Canonical SMILES |
CS(=O)(=O)CCCOc1ccc2CCC(COc3ccc(CCC(O)=O)c(F)c3)Oc2c1
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| InChI |
InChI=1S/C23H27FO7S/c1-32(27,28)12-2-11-29-19-8-4-17-5-9-20(31-22(17)14-19)15-30-18-7-3-16(21(24)13-18)6-10-23(25)26/h3-4,7-8,13-14,20H,2,5-6,9-12,15H2,1H3,(H,25,26)
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| InChIKey |
AWBMZPOCIDXPIX-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