General Information of the Compound
| Compound ID |
CP0534890
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| Compound Name |
methyl 2-amino-5-(oxolan-2-yl)-4-(trifluoromethyl)benzoate
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| Structure |
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| Formula |
C13H14F3NO3
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| Molecular Weight |
289.253
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| Canonical SMILES |
COC(=O)c1cc(C2CCCO2)c(cc1N)C(F)(F)F
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| InChI |
InChI=1S/C13H14F3NO3/c1-19-12(18)8-5-7(11-3-2-4-20-11)9(6-10(8)17)13(14,15)16/h5-6,11H,2-4,17H2,1H3
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| InChIKey |
JPXVOUWZIUDHPO-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