General Information of the Compound
| Compound ID |
CP0424001
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| Compound Name |
2-methyl-5-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid
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| Structure |
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| Formula |
C7H6F3NO2
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| Molecular Weight |
193.124
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| Canonical SMILES |
Cc1[nH]c(cc1C(O)=O)C(F)(F)F
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| InChI |
InChI=1S/C7H6F3NO2/c1-3-4(6(12)13)2-5(11-3)7(8,9)10/h2,11H,1H3,(H,12,13)
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| InChIKey |
FZYQYTJVKWEWQJ-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