General Information of the Compound
| Compound ID |
CP0941391
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| Compound Name |
1-(4-(8-(2,6-difluorobenzyl)-6-(((1-(2-(2-(2-azidoethoxy)ethoxy)ethyl)-1H-1,2,3-triazol-4-yl)methyl)carbamoyl)-3-((benzyl(methyl)amino)methyl)-5-oxo-5,8-dihydroimidazo[1,2-a]pyrimidin-2-yl)phenyl)-3-ethylurea
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| Structure |
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| Formula |
C41H45F2N13O5
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| Molecular Weight |
837.893
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| Canonical SMILES |
CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)cc(C(=O)NCc4cn(CCOCCOCCN=[N+]=[N-])nn4)c(=O)n3c2CN(C)Cc2ccccc2)cc1
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| InChI |
InChI=1S/C41H45F2N13O5/c1-3-45-40(59)48-30-14-12-29(13-15-30)37-36(27-53(2)23-28-8-5-4-6-9-28)56-39(58)33(26-54(41(56)49-37)25-32-34(42)10-7-11-35(32)43)38(57)46-22-31-24-55(52-50-31)17-19-61-21-20-60-18-16-47-51-44/h4-15,24,26H,3,16-23,25,27H2,1-2H3,(H,46,57)(H2,45,48,59)
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| InChIKey |
JVXOVGNWTALUNE-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