General Information of the Compound
| Compound ID |
CP0436605
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| Compound Name |
ethyl 2-[4-[[1-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]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 |
C45H52F2N12O8
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| Molecular Weight |
926.983
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| Canonical SMILES |
CCOC(=O)c1cn(Cc2c(F)cccc2F)c2nc(c(CN(C)Cc3ccccc3)n2c1=O)-c1ccc(NC(=O)NCc2cn(CCOCCOCCOCCOCCN=[N+]=[N-])nn2)cc1
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| InChI |
InChI=1S/C45H52F2N12O8/c1-3-67-43(61)37-30-57(29-36-38(46)10-7-11-39(36)47)45-52-41(40(59(45)42(37)60)31-56(2)27-32-8-5-4-6-9-32)33-12-14-34(15-13-33)51-44(62)49-26-35-28-58(55-53-35)17-19-64-21-23-66-25-24-65-22-20-63-18-16-50-54-48/h4-15,28,30H,3,16-27,29,31H2,1-2H3,(H2,49,51,62)
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| InChIKey |
ZEHWRDXOSODATR-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