General Information of the Compound
| Compound ID |
CP0886316
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| Compound Name |
3-{[benzyl(methyl)amino]methyl}-N-[(1-{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]ethyl}-1H-1,2,3-triazol-4-yl)methyl]-8-[(2,6-difluorophenyl)methyl]-2-{4-[(ethylcarbamoyl)amino]phenyl}-5-oxo-5H,8H-imidazo[1,2-a]pyrimidine-6-carboxamide
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| Structure |
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| Formula |
C74H74F4N20O7
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| Molecular Weight |
1431.531
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| Canonical SMILES |
CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)cc(C(=O)NCc4cn(CCOCCn5cc(CNC(=O)c6cn(Cc7c(F)cccc7F)c7nc(-c8ccc(NC(=O)NCC)cc8)c(CN(C)Cc8ccccc8)n7c6=O)nn5)nn4)c(=O)n3c2CN(C)Cc2ccccc2)cc1
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| InChI |
InChI=1S/C74H74F4N20O7/c1-5-79-71(103)83-51-27-23-49(24-28-51)65-63(45-91(3)37-47-15-9-7-10-16-47)97-69(101)57(43-93(73(97)85-65)41-55-59(75)19-13-20-60(55)76)67(99)81-35-53-39-95(89-87-53)31-33-105-34-32-96-40-54(88-90-96)36-82-68(100)58-44-94(42-56-61(77)21-14-22-62(56)78)74-86-66(50-25-29-52(30-26-50)84-72(104)80-6-2)64(98(74)70(58)102)46-92(4)38-48-17-11-8-12-18-48/h7-30,39-40,43-44H,5-6,31-38,41-42,45-46H2,1-4H3,(H,81,99)(H,82,100)(H2,79,83,103)(H2,80,84,104)
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| InChIKey |
MUERBOYQZKYCQY-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