General Information of the Compound
| Compound ID |
CP0373316
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| Compound Name |
ethyl 3-[[[2-[[1-[2-[2-(2-azidoethoxy)ethoxy]ethyl]triazol-4-yl]methylamino]-2-oxoethyl]-benzylamino]methyl]-8-[(2,6-difluorophenyl)methyl]-2-[4-(ethylcarbamoylamino)phenyl]-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate
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| Structure |
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| Formula |
C44H49F2N13O7
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| Molecular Weight |
909.956
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| Canonical SMILES |
CCNC(=O)Nc1ccc(cc1)-c1nc2n(Cc3c(F)cccc3F)cc(C(=O)OCC)c(=O)n2c1CN(CC(=O)NCc1cn(CCOCCOCCN=[N+]=[N-])nn1)Cc1ccccc1
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| InChI |
InChI=1S/C44H49F2N13O7/c1-3-48-43(63)51-32-15-13-31(14-16-32)40-38(59-41(61)35(42(62)66-4-2)27-57(44(59)52-40)26-34-36(45)11-8-12-37(34)46)28-56(24-30-9-6-5-7-10-30)29-39(60)49-23-33-25-58(55-53-33)18-20-65-22-21-64-19-17-50-54-47/h5-16,25,27H,3-4,17-24,26,28-29H2,1-2H3,(H,49,60)(H2,48,51,63)
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| InChIKey |
MFFPCGZKRKUNHA-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