General Information of the Compound
| Compound ID |
CP0503954
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| Compound Name |
2-(1-(4-fluoro-3-methoxyphenylsulfonyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
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| Structure |
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| Formula |
C17H15FN2O5S
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| Molecular Weight |
378.381
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| Canonical SMILES |
COc1cc(ccc1F)S(=O)(=O)n1c(C)c(CC(O)=O)c2cccnc12
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| InChI |
InChI=1S/C17H15FN2O5S/c1-10-13(9-16(21)22)12-4-3-7-19-17(12)20(10)26(23,24)11-5-6-14(18)15(8-11)25-2/h3-8H,9H2,1-2H3,(H,21,22)
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| InChIKey |
KLZALHRLXXRMDK-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
Protein ID: PT01171, Prostaglandin D2 receptor 2