General Information of the Compound
| Compound ID |
CP0915725
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| Compound Name |
Cyclo-4-amino-5-(benzofuran-2-yl)-7-beta-D-ribofuranosyl-7Hpyrrolo[2,3-d]pyrimidine5'-O-phosphate(3'->5')Guanosine5'-O-phosphate(2'->5')
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| Structure |
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| Formula |
C29H29N9O14P2
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| Molecular Weight |
789.548
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| Canonical SMILES |
Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cc(-c6cc7ccccc7o6)c6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1
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| InChI |
InChI=1S/C29H29N9O14P2/c30-23-17-12(14-5-11-3-1-2-4-13(11)48-14)6-37(24(17)33-9-32-23)27-20(40)21-16(50-27)8-47-54(44,45)52-22-19(39)15(7-46-53(42,43)51-21)49-28(22)38-10-34-18-25(38)35-29(31)36-26(18)41/h1-6,9-10,15-16,19-22,27-28,39-40H,7-8H2,(H,42,43)(H,44,45)(H2,30,32,33)(H3,31,35,36,41)/t15-,16-,19-,20-,21-,22-,27-,28-/m1/s1
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| InChIKey |
AECKZQJFRQNFMA-DWVGVLABSA-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