General Information of the Compound
| Compound ID |
CP0857948
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| Compound Name |
1',1'',1''',1''''-(5,5'-(4,4'-bipyridine-1,1'-diium-1,1'-diyl)bis(benzene-5,3,1-triyl))tetrakis(methylene)tetrakis(1-(3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propyl)-4,4'-bipyridine-1,1'-diium)hexafluorophosphate (V)
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| Structure |
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| Formula |
C98H98F60N18O8P10
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| Molecular Weight |
3105.6
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| Canonical SMILES |
Cc1cn(CCC[n+]2ccc(-c3cc[n+](Cc4cc(C[n+]5ccc(-c6cc[n+](CCCn7cc(C)c(=O)[nH]c7=O)cc6)cc5)cc(-[n+]5ccc(-c6cc[n+](-c7cc(C[n+]8ccc(-c9cc[n+](CCCn%10cc(C)c(=O)[nH]c%10=O)cc9)cc8)cc(C[n+]8ccc(-c9cc[n+](CCCn%10cc(C)c(=O)[nH]c%10=O)cc9)cc8)c7)cc6)cc5)c4)cc3)cc2)c(=O)[nH]c1=O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F
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| InChI |
InChI=1S/C98H94N18O8.10F6P/c1-71-63-113(95(121)99-91(71)117)33-5-29-103-37-9-79(10-38-103)83-17-45-107(46-18-83)67-75-57-76(68-108-47-19-84(20-48-108)80-11-39-104(40-12-80)30-6-34-114-64-72(2)92(118)100-96(114)122)60-89(59-75)111-53-25-87(26-54-111)88-27-55-112(56-28-88)90-61-77(69-109-49-21-85(22-50-109)81-13-41-105(42-14-81)31-7-35-115-65-73(3)93(119)101-97(115)123)58-78(62-90)70-110-51-23-86(24-52-110)82-15-43-106(44-16-82)32-8-36-116-66-74(4)94(120)102-98(116)124;10*1-7(2,3,4,5)6/h9-28,37-66H,5-8,29-36,67-70H2,1-4H3;;;;;;;;;;/q+6;10*-1/p+4
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| InChIKey |
VPHWHXLETYQANF-UHFFFAOYSA-R
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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