General Information of the Compound
| Compound ID |
CP0548479
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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 2-ethylbutanoate
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| Structure |
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| Formula |
C27H34F2N10O12P2
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| Molecular Weight |
790.571
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| Canonical SMILES |
CCC(CC)C(=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/C27H34F2N10O12P2/c1-3-12(4-2)27(40)44-11-47-53(43)46-6-14-19(15(28)25(49-14)38-9-36-17-21(30)32-7-34-23(17)38)50-52(41,42)45-5-13-20(51-53)16(29)26(48-13)39-10-37-18-22(31)33-8-35-24(18)39/h7-10,12-16,19-20,25-26H,3-6,11H2,1-2H3,(H,41,42)(H2,30,32,34)(H2,31,33,35)/t13-,14-,15-,16-,19-,20-,25-,26-,53+/m1/s1
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| InChIKey |
BLLAWDSKFGJSCP-SSLMSAPQSA-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