General Information of the Compound
| Compound ID |
CP0374809
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| Compound Name |
ethyl 3-[[[2-[[1-[2-(2-azidoethoxy)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 |
C42H45F2N13O6
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| Molecular Weight |
865.903
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| Canonical SMILES |
CCNC(=O)Nc1ccc(cc1)-c1nc2n(Cc3c(F)cccc3F)cc(C(=O)OCC)c(=O)n2c1CN(CC(=O)NCc1cn(CCOCCN=[N+]=[N-])nn1)Cc1ccccc1
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| InChI |
InChI=1S/C42H45F2N13O6/c1-3-46-41(61)49-30-15-13-29(14-16-30)38-36(57-39(59)33(40(60)63-4-2)25-55(42(57)50-38)24-32-34(43)11-8-12-35(32)44)26-54(22-28-9-6-5-7-10-28)27-37(58)47-21-31-23-56(53-51-31)18-20-62-19-17-48-52-45/h5-16,23,25H,3-4,17-22,24,26-27H2,1-2H3,(H,47,58)(H2,46,49,61)
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| InChIKey |
FUNDYJWBROJOKY-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