General Information of the Compound
| Compound ID |
CP0153758
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| Compound Name |
2-[3-[[2-(benzenesulfonyl)phenyl]methyl]-5-fluoro-2-methylindol-1-yl]acetic acid
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| Structure |
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| Formula |
C24H20FNO4S
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| Molecular Weight |
437.492
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| Canonical SMILES |
Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c2cc(F)ccc2n1CC(O)=O
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| InChI |
InChI=1S/C24H20FNO4S/c1-16-20(21-14-18(25)11-12-22(21)26(16)15-24(27)28)13-17-7-5-6-10-23(17)31(29,30)19-8-3-2-4-9-19/h2-12,14H,13,15H2,1H3,(H,27,28)
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| InChIKey |
GHYFLKZMAHTBNE-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