General Information of the Compound
| Compound ID |
CP0871618
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| Compound Name |
3-{[benzyl(methyl)amino]methyl}-N-{[1-(2-{2-[2-(4-{[(3-{[benzyl(methyl)amino]methyl}-8-[(2,6-difluorophenyl)methyl]-2-{4-[(ethylcarbamoyl)amino]phenyl}-5-oxo-5H,8H-imidazo[1,2-a]pyrimidin-6-yl)formamido]methyl}-1H-1,2,3-triazol-1-yl)ethoxy]ethoxy}ethyl)-1H-1,2,3-triazol-4-yl]methyl}-8-[(2,6-difluorophenyl)methyl]-2-{4-[(methylcarbamoyl)amino]phenyl}-5-oxo-5H,8H-imidazo[1,2-a]pyrimidine-6-carboxamide
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| Structure |
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| Formula |
C75H76F4N20O8
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| Molecular Weight |
1461.557
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| Canonical SMILES |
CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)cc(C(=O)NCc4cn(CCOCCOCCn5cc(CNC(=O)c6cn(Cc7c(F)cccc7F)c7nc(-c8ccc(NC(=O)NC)cc8)c(CN(C)Cc8ccccc8)n7c6=O)nn5)nn4)c(=O)n3c2CN(C)Cc2ccccc2)cc1
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| InChI |
InChI=1S/C75H76F4N20O8/c1-5-81-73(105)85-53-28-24-51(25-29-53)67-65(47-93(4)39-49-16-10-7-11-17-49)99-71(103)59(45-95(75(99)87-67)43-57-62(78)20-13-21-63(57)79)69(101)83-37-55-41-97(91-89-55)31-33-107-35-34-106-32-30-96-40-54(88-90-96)36-82-68(100)58-44-94(42-56-60(76)18-12-19-61(56)77)74-86-66(50-22-26-52(27-23-50)84-72(104)80-2)64(98(74)70(58)102)46-92(3)38-48-14-8-6-9-15-48/h6-29,40-41,44-45H,5,30-39,42-43,46-47H2,1-4H3,(H,82,100)(H,83,101)(H2,80,84,104)(H2,81,85,105)
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| InChIKey |
XDPXPEUTHIPRLI-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