General Information of the Compound
| Compound ID |
CP0886560
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| Compound Name |
3-{[benzyl(methyl)amino]methyl}-N-({1-[14-(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)-3,6,9,12-tetraoxatetradecan-1-yl]-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 |
C80H86F4N20O10
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| Molecular Weight |
1563.69
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| Canonical SMILES |
CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)cc(C(=O)NCc4cn(CCOCCOCCOCCOCCn5cc(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/C80H86F4N20O10/c1-5-85-77(109)89-57-27-23-55(24-28-57)71-69(51-97(3)43-53-15-9-7-10-16-53)103-75(107)63(49-99(79(103)91-71)47-61-65(81)19-13-20-66(61)82)73(105)87-41-59-45-101(95-93-59)31-33-111-35-37-113-39-40-114-38-36-112-34-32-102-46-60(94-96-102)42-88-74(106)64-50-100(48-62-67(83)21-14-22-68(62)84)80-92-72(56-25-29-58(30-26-56)90-78(110)86-6-2)70(104(80)76(64)108)52-98(4)44-54-17-11-8-12-18-54/h7-30,45-46,49-50H,5-6,31-44,47-48,51-52H2,1-4H3,(H,87,105)(H,88,106)(H2,85,89,109)(H2,86,90,110)
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| InChIKey |
FWBFUNZDLGPUGQ-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