General Information of the Compound
| Compound ID |
CP0437227
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| Compound Name |
ethyl 3-[[benzyl(methyl)amino]methyl]-2-[4-[[1-[2-[2-[4-[[[4-[3-[[benzyl(methyl)amino]methyl]-8-[(2,6-difluorophenyl)methyl]-6-ethoxycarbonyl-5-oxoimidazo[1,2-a]pyrimidin-2-yl]phenyl]carbamoylamino]methyl]triazol-1-yl]ethoxy]ethyl]triazol-4-yl]methylcarbamoylamino]phenyl]-8-[(2,6-difluorophenyl)methyl]-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate
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| Structure |
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| Formula |
C74H72F4N18O9
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| Molecular Weight |
1433.499
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| Canonical SMILES |
CCOC(=O)c1cn(Cc2c(F)cccc2F)c2nc(c(CN(C)Cc3ccccc3)n2c1=O)-c1ccc(NC(=O)NCc2cn(CCOCCn3cc(CNC(=O)Nc4ccc(cc4)-c4nc5n(Cc6c(F)cccc6F)cc(C(=O)OCC)c(=O)n5c4CN(C)Cc4ccccc4)nn3)nn2)cc1
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| InChI |
InChI=1S/C74H72F4N18O9/c1-5-104-69(99)57-43-91(41-55-59(75)19-13-20-60(55)76)73-83-65(63(95(73)67(57)97)45-89(3)37-47-15-9-7-10-16-47)49-23-27-51(28-24-49)81-71(101)79-35-53-39-93(87-85-53)31-33-103-34-32-94-40-54(86-88-94)36-80-72(102)82-52-29-25-50(26-30-52)66-64(46-90(4)38-48-17-11-8-12-18-48)96-68(98)58(70(100)105-6-2)44-92(74(96)84-66)42-56-61(77)21-14-22-62(56)78/h7-30,39-40,43-44H,5-6,31-38,41-42,45-46H2,1-4H3,(H2,79,81,101)(H2,80,82,102)
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| InChIKey |
JZDMQZSKEBDTEM-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