General Information of the Compound
| Compound ID |
CP0192069
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| Compound Name |
2-[7-[[2-(4-fluorophenyl)sulfonyl-5-methoxyphenyl]methyl]-6-methylpyrrolo[1,2-c]pyrimidin-5-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(Cc2c(C)c(CC(O)=O)c3ccncn23)c1)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C24H21FN2O5S/c1-15-20(13-24(28)29)21-9-10-26-14-27(21)22(15)12-16-11-18(32-2)5-8-23(16)33(30,31)19-6-3-17(25)4-7-19/h3-11,14H,12-13H2,1-2H3,(H,28,29)
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| InChIKey |
FENFRFDEKBVTJI-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