General Information of the Compound
| Compound ID |
CP0405362
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| Compound Name |
ethyl 3-[[benzyl-[2-[[1-[2-[2-[2-[2-[4-[[[2-[benzyl-[[8-[(2,6-difluorophenyl)methyl]-6-ethoxycarbonyl-2-[4-(ethylcarbamoylamino)phenyl]-5-oxoimidazo[1,2-a]pyrimidin-3-yl]methyl]amino]acetyl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]-2-oxoethyl]amino]methyl]-8-[(2,6-difluorophenyl)methyl]-2-[4-(ethylcarbamoylamino)phenyl]-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate
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| Structure |
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| Formula |
C84H90F4N20O13
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| Molecular Weight |
1663.763
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| Canonical SMILES |
CCNC(=O)Nc1ccc(cc1)-c1nc2n(Cc3c(F)cccc3F)cc(C(=O)OCC)c(=O)n2c1CN(CC(=O)NCc1cn(CCOCCOCCOCCn2cc(CNC(=O)CN(Cc3c(nc4n(Cc5c(F)cccc5F)cc(C(=O)OCC)c(=O)n34)-c3ccc(NC(=O)NCC)cc3)Cc3ccccc3)nn2)nn1)Cc1ccccc1
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| InChI |
InChI=1S/C84H90F4N20O13/c1-5-89-81(115)93-59-29-25-57(26-30-59)75-71(107-77(111)65(79(113)120-7-3)49-103(83(107)95-75)47-63-67(85)21-15-22-68(63)86)51-101(43-55-17-11-9-12-18-55)53-73(109)91-41-61-45-105(99-97-61)33-35-117-37-39-119-40-38-118-36-34-106-46-62(98-100-106)42-92-74(110)54-102(44-56-19-13-10-14-20-56)52-72-76(58-27-31-60(32-28-58)94-82(116)90-6-2)96-84-104(48-64-69(87)23-16-24-70(64)88)50-66(78(112)108(72)84)80(114)121-8-4/h9-32,45-46,49-50H,5-8,33-44,47-48,51-54H2,1-4H3,(H,91,109)(H,92,110)(H2,89,93,115)(H2,90,94,116)
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| InChIKey |
KFWXURTYWIRTAX-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