General Information of the Compound
| Compound ID |
CP0523159
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| Compound Name |
tert-butyl 5-[6-(2-fluoro-4-methylsulfonylanilino)-5-nitropyrimidin-4-yl]oxy-2-azabicyclo[2.2.1]heptane-2-carboxylate
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| Structure |
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| Formula |
C22H26FN5O7S
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| Molecular Weight |
523.543
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CC2CC1CC2Oc1ncnc(Nc2ccc(cc2F)S(C)(=O)=O)c1[N+]([O-])=O
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| InChI |
InChI=1S/C22H26FN5O7S/c1-22(2,3)35-21(29)27-10-12-7-13(27)8-17(12)34-20-18(28(30)31)19(24-11-25-20)26-16-6-5-14(9-15(16)23)36(4,32)33/h5-6,9,11-13,17H,7-8,10H2,1-4H3,(H,24,25,26)
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| InChIKey |
KIFDOPUBCYZGCN-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