General Information of the Compound
| Compound ID |
CP0498415
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| Compound Name |
2-(2-methyl-1-tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
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| Structure |
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| Formula |
C17H16N2O4S
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| Molecular Weight |
344.392
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| Canonical SMILES |
Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C17H16N2O4S/c1-11-5-7-13(8-6-11)24(22,23)19-12(2)15(10-16(20)21)14-4-3-9-18-17(14)19/h3-9H,10H2,1-2H3,(H,20,21)
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| InChIKey |
KUTHVVCBNKEHNM-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