General Information of the Compound
| Compound ID |
CP0398865
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| Compound Name |
2-[3-[[2-[benzyl(methyl)sulfamoyl]phenyl]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 |
C25H27N3O5S
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| Molecular Weight |
481.574
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| Canonical SMILES |
CN(Cc1ccccc1)S(=O)(=O)c1ccccc1Cc1c(C)n(CC(O)=O)c2CCNC(=O)c12
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| InChI |
InChI=1S/C25H27N3O5S/c1-17-20(24-21(12-13-26-25(24)31)28(17)16-23(29)30)14-19-10-6-7-11-22(19)34(32,33)27(2)15-18-8-4-3-5-9-18/h3-11H,12-16H2,1-2H3,(H,26,31)(H,29,30)
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| InChIKey |
YRKIDDRSKOLBFL-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