General Information of the Compound
| Compound ID |
CP0447279
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| Compound Name |
tert-butyl 5-[6-(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 |
C22H27N5O7S
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| Molecular Weight |
505.553
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CC2CC1CC2Oc1ncnc(Nc2ccc(cc2)S(C)(=O)=O)c1[N+]([O-])=O
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| InChI |
InChI=1S/C22H27N5O7S/c1-22(2,3)34-21(28)26-11-13-9-15(26)10-17(13)33-20-18(27(29)30)19(23-12-24-20)25-14-5-7-16(8-6-14)35(4,31)32/h5-8,12-13,15,17H,9-11H2,1-4H3,(H,23,24,25)
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| InChIKey |
CCXBRCLLCNNQLR-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