General Information of the Compound
| Compound ID |
CP0516326
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| Compound Name |
2-[2-methyl-3-[[2-[3-(methylcarbamoyl)phenyl]sulfonylphenyl]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 |
C25H25N3O6S
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| Molecular Weight |
495.557
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| Canonical SMILES |
CNC(=O)c1cccc(c1)S(=O)(=O)c1ccccc1Cc1c(C)n(CC(O)=O)c2CCNC(=O)c12
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| InChI |
InChI=1S/C25H25N3O6S/c1-15-19(23-20(10-11-27-25(23)32)28(15)14-22(29)30)13-16-6-3-4-9-21(16)35(33,34)18-8-5-7-17(12-18)24(31)26-2/h3-9,12H,10-11,13-14H2,1-2H3,(H,26,31)(H,27,32)(H,29,30)
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| InChIKey |
PYQGQUKHSOSCST-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