General Information of the Compound
| Compound ID |
CP0537561
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| Compound Name |
2-[3-[[2-(benzenesulfonyl)-4-methoxycarbonylphenyl]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 |
C25H24N2O7S
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| Molecular Weight |
496.541
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| Canonical SMILES |
COC(=O)c1ccc(Cc2c(C)n(CC(O)=O)c3CCNC(=O)c23)c(c1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C25H24N2O7S/c1-15-19(23-20(10-11-26-24(23)30)27(15)14-22(28)29)12-16-8-9-17(25(31)34-2)13-21(16)35(32,33)18-6-4-3-5-7-18/h3-9,13H,10-12,14H2,1-2H3,(H,26,30)(H,28,29)
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| InChIKey |
VUZHPJPVHMKDDC-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