General Information of the Compound
| Compound ID |
CP0268082
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| Compound Name |
2-[3-[[2-(benzenesulfonyl)-5-methoxyphenyl]methyl]-2-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]acetic acid
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| Structure |
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| Formula |
C24H24N2O6S
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| Molecular Weight |
468.531
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| Canonical SMILES |
COc1ccc(c(Cc2c(C)n(CC(O)=O)c3CCNC(=O)c23)c1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C24H24N2O6S/c1-15-19(23-20(10-11-25-24(23)29)26(15)14-22(27)28)13-16-12-17(32-2)8-9-21(16)33(30,31)18-6-4-3-5-7-18/h3-9,12H,10-11,13-14H2,1-2H3,(H,25,29)(H,27,28)
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| InChIKey |
LTJKQLWDQZZPRF-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