General Information of the Compound
| Compound ID |
CP0177159
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| Compound Name |
2-amino-7-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(6-aminopurin-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]-3H-thieno[3,4-d]pyrimidin-4-one
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| Structure |
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| Formula |
C21H24N8O13P2S
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| Molecular Weight |
690.481
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| Canonical SMILES |
Nc1nc2c(scc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3O)n1cnc2c(N)ncnc12
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| InChI |
InChI=1S/C21H24N8O13P2S/c22-17-10-18(25-4-24-17)29(5-26-10)20-12(31)13-8(40-20)2-38-44(35,36)42-14-11(30)7(1-37-43(33,34)41-13)39-15(14)16-9-6(3-45-16)19(32)28-21(23)27-9/h3-5,7-8,11-15,20,30-31H,1-2H2,(H,33,34)(H,35,36)(H2,22,24,25)(H3,23,27,28,32)/t7-,8-,11-,12-,13-,14-,15-,20-/m1/s1
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| InChIKey |
ATWRTGLUFWPIFL-MWSGHWIZSA-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