General Information of the Compound
| Compound ID |
CP0509408
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| Compound Name |
ethyl 3-[[[2-[[1-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]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 |
C48H57F2N13O9
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| Molecular Weight |
998.062
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| Canonical SMILES |
CCNC(=O)Nc1ccc(cc1)-c1nc2n(Cc3c(F)cccc3F)cc(C(=O)OCC)c(=O)n2c1CN(CC(=O)NCc1cn(CCOCCOCCOCCOCCN=[N+]=[N-])nn1)Cc1ccccc1
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| InChI |
InChI=1S/C48H57F2N13O9/c1-3-52-47(67)55-36-15-13-35(14-16-36)44-42(63-45(65)39(46(66)72-4-2)31-61(48(63)56-44)30-38-40(49)11-8-12-41(38)50)32-60(28-34-9-6-5-7-10-34)33-43(64)53-27-37-29-62(59-57-37)18-20-69-22-24-71-26-25-70-23-21-68-19-17-54-58-51/h5-16,29,31H,3-4,17-28,30,32-33H2,1-2H3,(H,53,64)(H2,52,55,67)
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| InChIKey |
MOZIIPCYCHSJIT-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