General Information of the Compound
| Compound ID |
CP0534891
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| Compound Name |
[(1R,3R,6R,8R,9R,10R,12R,15R,17R,18R)-8,17-bis(6-aminopurin-9-yl)-12-(2-ethylbutanoyloxymethoxy)-9,18-difluoro-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 |
C34H46F2N10O14P2
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| Molecular Weight |
918.742
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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]2O[P@](=O)(OCOC(=O)C(CC)CC)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/C34H46F2N10O14P2/c1-5-17(6-2)33(47)51-15-55-61(49)53-9-19-26(22(36)32(57-19)46-14-44-24-28(38)40-12-42-30(24)46)60-62(50,56-16-52-34(48)18(7-3)8-4)54-10-20-25(59-61)21(35)31(58-20)45-13-43-23-27(37)39-11-41-29(23)45/h11-14,17-22,25-26,31-32H,5-10,15-16H2,1-4H3,(H2,37,39,41)(H2,38,40,42)/t19-,20-,21-,22-,25-,26-,31-,32-,61+,62+/m1/s1
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| InChIKey |
PODJJDFZEXASEU-CFRPJWIQSA-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