General Information of the Compound
| Compound ID |
CP0444685
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| Compound Name |
9-[(1S,6R,8R,9R,10R,15R,17R)-17-(6-aminopurin-9-yl)-9-fluoro-12-hydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one
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| Formula |
C20H22FN9O9P2S2
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| Molecular Weight |
677.53
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| Canonical SMILES |
Nc1ncnc2n(cnc12)[C@H]1C[C@@H]2OP(S)(=O)OC[C@H]3O[C@H]([C@H](F)[C@@H]3OP(S)(=O)OC[C@H]2O1)n1cnc2c(O)ncnc12
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| InChI |
InChI=1S/C20H22FN9O9P2S2/c21-12-15-10(37-20(12)30-7-28-14-18(30)25-5-26-19(14)31)3-35-40(32,42)38-8-1-11(36-9(8)2-34-41(33,43)39-15)29-6-27-13-16(22)23-4-24-17(13)29/h4-12,15,20H,1-3H2,(H,32,42)(H,33,43)(H2,22,23,24)(H,25,26,31)/t8-,9+,10+,11+,12+,15+,20+,40?,41?/m0/s1
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| InChIKey |
ZOHTYTWCUFTHSD-CBAZNMGYSA-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
Protein ID: PT05006, Stimulator of interferon genes protein