General Information of the Compound
| Compound ID |
CP0560105
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| Compound Name |
1-(4-tert-butylphenyl)-2,5-dimethylpyrrole-3-carboxylic acid
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| Structure |
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| Formula |
C17H21NO2
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| Molecular Weight |
271.36
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| Canonical SMILES |
Cc1cc(C(O)=O)c(C)n1-c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C17H21NO2/c1-11-10-15(16(19)20)12(2)18(11)14-8-6-13(7-9-14)17(3,4)5/h6-10H,1-5H3,(H,19,20)
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| InChIKey |
XSMHUGITXBCHOK-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