General Information of the Compound
| Compound ID |
CP0528019
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| Compound Name |
[(1R,3S,6R,8R,9R,10R,12S,15R,17R,18R)-8,17-bis(6-aminopurin-9-yl)-12-(2,2-dimethylpropanoyloxymethylsulfanyl)-9,18-difluoro-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.3.0.06,10]octadecan-3-yl]sulfanylmethyl 2,2-dimethylpropanoate
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| Structure |
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| Formula |
C32H42F2N10O12P2S2
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| Molecular Weight |
922.824
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| Canonical SMILES |
CC(C)(C)C(=O)OCS[P@@]1(=O)OC[C@H]2O[C@H]([C@H](F)[C@@H]2O[P@](=O)(OC[C@H]2O[C@H]([C@H](F)[C@@H]2O1)n1cnc2c(N)ncnc12)SCOC(=O)C(C)(C)C)n1cnc2c(N)ncnc12
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| InChI |
InChI=1S/C32H42F2N10O12P2S2/c1-31(2,3)29(45)49-13-59-57(47)51-7-15-22(18(34)28(53-15)44-12-42-20-24(36)38-10-40-26(20)44)56-58(48,60-14-50-30(46)32(4,5)6)52-8-16-21(55-57)17(33)27(54-16)43-11-41-19-23(35)37-9-39-25(19)43/h9-12,15-18,21-22,27-28H,7-8,13-14H2,1-6H3,(H2,35,37,39)(H2,36,38,40)/t15-,16-,17-,18-,21-,22-,27-,28-,57+,58+/m1/s1
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| InChIKey |
AHDOYBXQIUSLFF-QBBSVUFPSA-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