General Information of the Compound
| Compound ID |
CP0516640
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| Compound Name |
1-(3-fluorophenyl)-2,5-dimethylpyrrole-3-carboxylic acid
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| Structure |
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| Formula |
C13H12FNO2
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| Molecular Weight |
233.242
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| Canonical SMILES |
Cc1cc(C(O)=O)c(C)n1-c1cccc(F)c1
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| InChI |
InChI=1S/C13H12FNO2/c1-8-6-12(13(16)17)9(2)15(8)11-5-3-4-10(14)7-11/h3-7H,1-2H3,(H,16,17)
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| InChIKey |
GCWSSIBLQDMCJL-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