General Information of the Compound
| Compound ID |
CP0883044
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| Compound Name |
1-(4-(8-(2,6-difluorobenzyl)-6-(((1-(2-azidoethyl)-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 |
C37H37F2N13O3
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| Molecular Weight |
749.787
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| Canonical SMILES |
CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)cc(C(=O)NCc4cn(CCN=[N+]=[N-])nn4)c(=O)n3c2CN(C)Cc2ccccc2)cc1
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| InChI |
InChI=1S/C37H37F2N13O3/c1-3-41-36(55)44-26-14-12-25(13-15-26)33-32(23-49(2)19-24-8-5-4-6-9-24)52-35(54)29(34(53)42-18-27-20-51(48-46-27)17-16-43-47-40)22-50(37(52)45-33)21-28-30(38)10-7-11-31(28)39/h4-15,20,22H,3,16-19,21,23H2,1-2H3,(H,42,53)(H2,41,44,55)
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| InChIKey |
ZNJLPXWIXASRTR-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