General Information of the Compound
| Compound ID |
CP0504053
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| Compound Name |
ethyl 2-[4-[[1-[2-[2-(2-azidoethoxy)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 |
C41H44F2N12O6
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| Molecular Weight |
838.877
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| Canonical SMILES |
CCOC(=O)c1cn(Cc2c(F)cccc2F)c2nc(c(CN(C)Cc3ccccc3)n2c1=O)-c1ccc(NC(=O)NCc2cn(CCOCCOCCN=[N+]=[N-])nn2)cc1
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| InChI |
InChI=1S/C41H44F2N12O6/c1-3-61-39(57)33-26-53(25-32-34(42)10-7-11-35(32)43)41-48-37(36(55(41)38(33)56)27-52(2)23-28-8-5-4-6-9-28)29-12-14-30(15-13-29)47-40(58)45-22-31-24-54(51-49-31)17-19-60-21-20-59-18-16-46-50-44/h4-15,24,26H,3,16-23,25,27H2,1-2H3,(H2,45,47,58)
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| InChIKey |
FMVWNXJKPZQHCA-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