General Information of the Compound
| Compound ID |
CP0344145
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| Compound Name |
[(2R)-1,1,1-trifluoropropan-2-yl] 5-chloro-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylate
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| Structure |
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| Formula |
C20H14ClF3N4O4
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| Molecular Weight |
466.803
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| Canonical SMILES |
C[C@@H](OC(=O)c1cc(Cl)cc2cc(CNC(=O)c3cnn4cccnc34)oc12)C(F)(F)F
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| InChI |
InChI=1S/C20H14ClF3N4O4/c1-10(20(22,23)24)31-19(30)14-7-12(21)5-11-6-13(32-16(11)14)8-26-18(29)15-9-27-28-4-2-3-25-17(15)28/h2-7,9-10H,8H2,1H3,(H,26,29)/t10-/m1/s1
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| InChIKey |
YOUYXLLJMMDQQG-SNVBAGLBSA-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
Protein ID: PT03644, Stimulator of interferon genes protein
Protein ID: PT05006, Stimulator of interferon genes protein