General Information of the Compound
| Compound ID |
CP0177171
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| Compound Name |
2-amino-9-[(1R,6R,8R,9R,10R,15R,17R,18R)-8-(2,6-diaminopurin-9-yl)-9-fluoro-3,12,18-trihydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one
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| Structure |
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| Formula |
C20H24FN11O12P2
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| Molecular Weight |
691.423
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| Canonical SMILES |
Nc1nc(N)c2ncn([C@@H]3O[C@@H]4COP(O)(=O)O[C@@H]5[C@H](O)[C@@H](COP(O)(=O)O[C@H]4[C@H]3F)O[C@H]5n3cnc4c3nc(N)[nH]c4=O)c2n1
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| InChI |
InChI=1S/C20H24FN11O12P2/c21-7-11-6(42-17(7)31-3-25-8-13(22)27-19(23)28-14(8)31)2-40-46(37,38)44-12-10(33)5(1-39-45(35,36)43-11)41-18(12)32-4-26-9-15(32)29-20(24)30-16(9)34/h3-7,10-12,17-18,33H,1-2H2,(H,35,36)(H,37,38)(H4,22,23,27,28)(H3,24,29,30,34)/t5-,6-,7-,10-,11-,12-,17-,18-/m1/s1
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| InChIKey |
BEQZFQSKPLTLNX-MTZWDDMOSA-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