General Information of the Compound
| Compound ID |
CP0548438
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| Compound Name |
[(1R,3R,6R,8R,9R,10R,15R,17R,18R)-8,17-bis(6-aminopurin-9-yl)-9,18-difluoro-12-hydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.3.0.06,10]octadecan-3-yl]oxymethyl propan-2-yl carbonate
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| Structure |
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| Formula |
C25H30F2N10O13P2
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| Molecular Weight |
778.516
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| Canonical SMILES |
CC(C)OC(=O)OCO[P@]1(=O)OC[C@H]2O[C@H]([C@H](F)[C@@H]2OP(O)(=O)OC[C@H]2O[C@H]([C@H](F)[C@@H]2O1)n1cnc2c(N)ncnc12)n1cnc2c(N)ncnc12
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| InChI |
InChI=1S/C25H30F2N10O13P2/c1-10(2)46-25(38)42-9-45-52(41)44-4-12-17(13(26)23(48-12)36-7-34-15-19(28)30-5-32-21(15)36)49-51(39,40)43-3-11-18(50-52)14(27)24(47-11)37-8-35-16-20(29)31-6-33-22(16)37/h5-8,10-14,17-18,23-24H,3-4,9H2,1-2H3,(H,39,40)(H2,28,30,32)(H2,29,31,33)/t11-,12-,13-,14-,17-,18-,23-,24-,52+/m1/s1
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| InChIKey |
GVIFYDSYPLNPOJ-IBUACTADSA-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
Protein ID: PT03644, Stimulator of interferon genes protein