General Information of the Compound
| Compound ID |
CP0579427
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| Compound Name |
(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one
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| Structure |
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| Formula |
C20H15F5N4O4
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| Molecular Weight |
470.354
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| Canonical SMILES |
COc1cc(F)c([C@@H]2CNC(=O)[C@H]2Nc2nnc(o2)-c2ccc(OC(F)(F)F)cc2)c(F)c1
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| InChI |
InChI=1S/C20H15F5N4O4/c1-31-11-6-13(21)15(14(22)7-11)12-8-26-17(30)16(12)27-19-29-28-18(32-19)9-2-4-10(5-3-9)33-20(23,24)25/h2-7,12,16H,8H2,1H3,(H,26,30)(H,27,29)/t12-,16-/m0/s1
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| InChIKey |
RUZUBSJPMWAWOJ-LRDDRELGSA-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