General Information of the Compound
| Compound ID |
CP0878011
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| Compound Name |
1-(4-(8-(2,6-difluorobenzyl)-6-(((1-(2-(2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)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 |
C45H53F2N13O7
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| Molecular Weight |
925.999
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| Canonical SMILES |
CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)cc(C(=O)NCc4cn(CCOCCOCCOCCOCCN=[N+]=[N-])nn4)c(=O)n3c2CN(C)Cc2ccccc2)cc1
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| InChI |
InChI=1S/C45H53F2N13O7/c1-3-49-44(63)52-34-14-12-33(13-15-34)41-40(31-57(2)27-32-8-5-4-6-9-32)60-43(62)37(30-58(45(60)53-41)29-36-38(46)10-7-11-39(36)47)42(61)50-26-35-28-59(56-54-35)17-19-65-21-23-67-25-24-66-22-20-64-18-16-51-55-48/h4-15,28,30H,3,16-27,29,31H2,1-2H3,(H,50,61)(H2,49,52,63)
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| InChIKey |
KUHKEVKJEUYMSR-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