General Information of the Compound
| Compound ID |
CP0409117
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| Compound Name |
2-[1-[[2-(4-fluorophenyl)sulfonyl-5-methoxyphenyl]methyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
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| Structure |
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| Formula |
C24H21FN2O5S
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| Molecular Weight |
468.506
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| Canonical SMILES |
COc1ccc(c(Cn2cc(CC(O)=O)c3ccc(C)nc23)c1)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C24H21FN2O5S/c1-15-3-9-21-16(12-23(28)29)13-27(24(21)26-15)14-17-11-19(32-2)6-10-22(17)33(30,31)20-7-4-18(25)5-8-20/h3-11,13H,12,14H2,1-2H3,(H,28,29)
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| InChIKey |
VHCNYWKLVBKANL-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