General Information of the Compound
| Compound ID |
CP0532334
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| Compound Name |
9-[(1R,6R,8R,10S,15R,17R,18R)-17-(6-aminopurin-9-yl)-18-fluoro-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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| Formula |
C20H22FN9O11P2
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| Molecular Weight |
645.394
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| Canonical SMILES |
Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]2[C@H]1F)n1cnc2c(O)ncnc12
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| InChI |
InChI=1S/C20H22FN9O11P2/c21-12-15-10(39-20(12)30-7-27-13-16(22)23-4-24-17(13)30)3-37-42(32,33)40-8-1-11(38-9(8)2-36-43(34,35)41-15)29-6-28-14-18(29)25-5-26-19(14)31/h4-12,15,20H,1-3H2,(H,32,33)(H,34,35)(H2,22,23,24)(H,25,26,31)/t8-,9+,10+,11+,12+,15+,20+/m0/s1
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| InChIKey |
WAIOAMRVKJBOSB-JMMIKBGYSA-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