General Information of the Compound
| Compound ID |
CP0483417
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| Compound Name |
2-[3-[[2-(benzenesulfonyl)phenyl]methyl]-2-methyl-4-oxo-5-propan-2-yl-6,7-dihydropyrrolo[3,2-c]pyridin-1-yl]acetic acid
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| Structure |
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| Formula |
C26H28N2O5S
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| Molecular Weight |
480.586
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| Canonical SMILES |
CC(C)N1CCc2c(c(Cc3ccccc3S(=O)(=O)c3ccccc3)c(C)n2CC(O)=O)C1=O
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| InChI |
InChI=1S/C26H28N2O5S/c1-17(2)27-14-13-22-25(26(27)31)21(18(3)28(22)16-24(29)30)15-19-9-7-8-12-23(19)34(32,33)20-10-5-4-6-11-20/h4-12,17H,13-16H2,1-3H3,(H,29,30)
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| InChIKey |
QYHWVKDNADRQQG-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