General Information of the Compound
| Compound ID |
CP0106923
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| Compound Name |
2-[6-ethyl-2-methyl-1-[(4-methylsulfonylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid
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| Structure |
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| Formula |
C20H22N2O4S
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| Molecular Weight |
386.473
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| Canonical SMILES |
CCc1ccc2c(CC(O)=O)c(C)n(Cc3ccc(cc3)S(C)(=O)=O)c2n1
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| InChI |
InChI=1S/C20H22N2O4S/c1-4-15-7-10-17-18(11-19(23)24)13(2)22(20(17)21-15)12-14-5-8-16(9-6-14)27(3,25)26/h5-10H,4,11-12H2,1-3H3,(H,23,24)
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| InChIKey |
QKTZDUXKWPIHAY-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