General Information of the Compound
| Compound ID |
CP0542707
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| Compound Name |
methyl 3-amino-6-(furan-2-yl)-5-(trifluoromethyl)pyridine-2-carboxylate
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| Structure |
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| Formula |
C12H9F3N2O3
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| Molecular Weight |
286.209
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| Canonical SMILES |
COC(=O)c1nc(-c2ccco2)c(cc1N)C(F)(F)F
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| InChI |
InChI=1S/C12H9F3N2O3/c1-19-11(18)10-7(16)5-6(12(13,14)15)9(17-10)8-3-2-4-20-8/h2-5H,16H2,1H3
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| InChIKey |
VSOSGZJMSRVWGW-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