General Information of the Compound
| Compound ID |
CP0549321
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| Compound Name |
2-[3-[[2-(4-fluorophenyl)sulfonylphenyl]methyl]-2-methyl-4,5,6,7-tetrahydroindol-1-yl]acetic acid
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| Structure |
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| Formula |
C24H24FNO4S
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| Molecular Weight |
441.524
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| Canonical SMILES |
Cc1c(Cc2ccccc2S(=O)(=O)c2ccc(F)cc2)c2CCCCc2n1CC(O)=O
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| InChI |
InChI=1S/C24H24FNO4S/c1-16-21(20-7-3-4-8-22(20)26(16)15-24(27)28)14-17-6-2-5-9-23(17)31(29,30)19-12-10-18(25)11-13-19/h2,5-6,9-13H,3-4,7-8,14-15H2,1H3,(H,27,28)
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| InChIKey |
VEGKLTPETZMAHE-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