General Information of the Compound
| Compound ID |
CP0480378
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| Compound Name |
ethyl 2-[4-[[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methylcarbamoylamino]phenyl]-3-[[benzyl(methyl)amino]methyl]-8-[(2,6-difluorophenyl)methyl]-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate
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| Structure |
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| Formula |
C43H48F2N12O7
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| Molecular Weight |
882.93
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| Canonical SMILES |
CCOC(=O)c1cn(Cc2c(F)cccc2F)c2nc(c(CN(C)Cc3ccccc3)n2c1=O)-c1ccc(NC(=O)NCc2cn(CCOCCOCCOCCN=[N+]=[N-])nn2)cc1
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| InChI |
InChI=1S/C43H48F2N12O7/c1-3-64-41(59)35-28-55(27-34-36(44)10-7-11-37(34)45)43-50-39(38(57(43)40(35)58)29-54(2)25-30-8-5-4-6-9-30)31-12-14-32(15-13-31)49-42(60)47-24-33-26-56(53-51-33)17-19-62-21-23-63-22-20-61-18-16-48-52-46/h4-15,26,28H,3,16-25,27,29H2,1-2H3,(H2,47,49,60)
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| InChIKey |
GCOARFMWCKEZIN-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