General Information of the Compound
| Compound ID |
CP0145547
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| Compound Name |
2-amino-9-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(2,6-diaminopurin-9-yl)-3,9,12,18-tetrahydroxy-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 |
C20H25N11O13P2
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| Molecular Weight |
689.432
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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]3O)O[C@H]5n3cnc4c3[nH]c(N)nc4=O)c2n1
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| InChI |
InChI=1S/C20H25N11O13P2/c21-13-7-14(27-19(22)26-13)30(3-24-7)17-10(33)11-6(42-17)2-40-46(37,38)44-12-9(32)5(1-39-45(35,36)43-11)41-18(12)31-4-25-8-15(31)28-20(23)29-16(8)34/h3-6,9-12,17-18,32-33H,1-2H2,(H,35,36)(H,37,38)(H4,21,22,26,27)(H3,23,28,29,34)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1
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| InChIKey |
OBVRMYNUIAANLG-MHARETSRSA-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