General Information of the Compound
| Compound ID |
CP0409116
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| Compound Name |
2-[1-[[2-(4-fluorophenyl)sulfonyl-5-methoxyphenyl]methyl]-2,6-dimethylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
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| Structure |
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| Formula |
C25H23FN2O5S
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| Molecular Weight |
482.533
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| Canonical SMILES |
COc1ccc(c(Cn2c(C)c(CC(O)=O)c3ccc(C)nc23)c1)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C25H23FN2O5S/c1-15-4-10-21-22(13-24(29)30)16(2)28(25(21)27-15)14-17-12-19(33-3)7-11-23(17)34(31,32)20-8-5-18(26)6-9-20/h4-12H,13-14H2,1-3H3,(H,29,30)
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| InChIKey |
DYQNOOCPBCWNGT-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