General Information of the Compound
| Compound ID |
CP0498191
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| Compound Name |
3-(4-tert-butylphenyl)-4-cyano-1-methyl-5-(methylthio)-1H-pyrrole-2-carboxylic acid
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| Structure |
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| Formula |
C18H20N2O2S
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| Molecular Weight |
328.437
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| Canonical SMILES |
CSc1c(C#N)c(c(C(O)=O)n1C)-c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C18H20N2O2S/c1-18(2,3)12-8-6-11(7-9-12)14-13(10-19)16(23-5)20(4)15(14)17(21)22/h6-9H,1-5H3,(H,21,22)
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| InChIKey |
IOZCLHVNQRARRL-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
Protein ID: PT01829, Glutamate receptor 2
Protein ID: PT03593, Glutamate receptor 4