General Information of the Compound
| Compound ID |
CP0444687
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| Compound Name |
9-[(1S,6R,8R,10S,15R,17R)-17-(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-dioxo-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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| Structure |
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| Formula |
C20H23N9O11P2
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| Molecular Weight |
627.404
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| Canonical SMILES |
Nc1ncnc2n(cnc12)[C@H]1C[C@@H]2OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]2O1)n1cnc2c(O)ncnc12
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| InChI |
InChI=1S/C20H23N9O11P2/c21-17-15-18(23-5-22-17)28(7-26-15)13-1-9-11(37-13)3-35-42(33,34)40-10-2-14(38-12(10)4-36-41(31,32)39-9)29-8-27-16-19(29)24-6-25-20(16)30/h5-14H,1-4H2,(H,31,32)(H,33,34)(H2,21,22,23)(H,24,25,30)/t9-,10-,11+,12+,13+,14+/m0/s1
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| InChIKey |
BAEJKTUPWJXHEZ-PRSXHHODSA-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