General Information of the Compound
| Compound ID |
CP0538794
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| Compound Name |
tert-butyl 5-[6-(2-fluoro-4-methylsulfonylanilino)-5-nitropyrimidin-4-yl]oxy-2-azabicyclo[2.2.2]octane-2-carboxylate
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| Structure |
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| Formula |
C23H28FN5O7S
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| Molecular Weight |
537.57
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CC2CCC1CC2Oc1ncnc(Nc2ccc(cc2F)S(C)(=O)=O)c1[N+]([O-])=O
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| InChI |
InChI=1S/C23H28FN5O7S/c1-23(2,3)36-22(30)28-11-13-5-6-14(28)9-18(13)35-21-19(29(31)32)20(25-12-26-21)27-17-8-7-15(10-16(17)24)37(4,33)34/h7-8,10,12-14,18H,5-6,9,11H2,1-4H3,(H,25,26,27)
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| InChIKey |
JOSPAOMJZOISPJ-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