General Information of the Compound
| Compound ID |
CP0556345
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| Compound Name |
2-[3-[[2-(4-fluorophenyl)sulfonyl-5-methoxyphenyl]methyl]-2,6,6-trimethyl-4-oxo-5,7-dihydropyrrolo[3,2-c]pyridin-1-yl]acetic acid
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| Structure |
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| Formula |
C26H27FN2O6S
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| Molecular Weight |
514.575
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| Canonical SMILES |
COc1ccc(c(Cc2c(C)n(CC(O)=O)c3CC(C)(C)NC(=O)c23)c1)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C26H27FN2O6S/c1-15-20(24-21(29(15)14-23(30)31)13-26(2,3)28-25(24)32)12-16-11-18(35-4)7-10-22(16)36(33,34)19-8-5-17(27)6-9-19/h5-11H,12-14H2,1-4H3,(H,28,32)(H,30,31)
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| InChIKey |
VOAVYLYOBQTDPK-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