General Information of the Compound
| Compound ID |
CP0535910
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| Compound Name |
ethyl 3-[[benzyl(methyl)amino]methyl]-2-[4-[[1-[2-[2-[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]ethoxy]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 |
C78H80F4N18O11
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| Molecular Weight |
1521.605
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| Canonical SMILES |
CCOC(=O)c1cn(Cc2c(F)cccc2F)c2nc(c(CN(C)Cc3ccccc3)n2c1=O)-c1ccc(NC(=O)NCc2cn(CCOCCOCCOCCn3cc(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/C78H80F4N18O11/c1-5-110-73(103)61-47-95(45-59-63(79)19-13-20-64(59)80)77-87-69(67(99(77)71(61)101)49-93(3)41-51-15-9-7-10-16-51)53-23-27-55(28-24-53)85-75(105)83-39-57-43-97(91-89-57)31-33-107-35-37-109-38-36-108-34-32-98-44-58(90-92-98)40-84-76(106)86-56-29-25-54(26-30-56)70-68(50-94(4)42-52-17-11-8-12-18-52)100-72(102)62(74(104)111-6-2)48-96(78(100)88-70)46-60-65(81)21-14-22-66(60)82/h7-30,43-44,47-48H,5-6,31-42,45-46,49-50H2,1-4H3,(H2,83,85,105)(H2,84,86,106)
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| InChIKey |
DPWQOJWZSJLMDN-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