General Information of the Compound
| Compound ID |
CP0869337
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| Compound Name |
{[(2R,3S,5R)-5-(6-amino-8-phenyl-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}({[hydroxy({[(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methoxy})phosphoryl]oxy})phosphinic acid
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| Structure |
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| Formula |
C21H27N5O13P2
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| Molecular Weight |
619.417
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| Canonical SMILES |
Nc1ncnc2c1nc(-c1ccccc1)n2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2OC(O)[C@H](O)[C@@H]2O)O1
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| InChI |
InChI=1S/C21H27N5O13P2/c22-18-15-20(24-9-23-18)26(19(25-15)10-4-2-1-3-5-10)14-6-11(27)12(37-14)7-35-40(31,32)39-41(33,34)36-8-13-16(28)17(29)21(30)38-13/h1-5,9,11-14,16-17,21,27-30H,6-8H2,(H,31,32)(H,33,34)(H2,22,23,24)/t11-,12+,13+,14+,16+,17+,21?/m0/s1
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| InChIKey |
HDAKJMFIHMDGRC-PRSHHIRJSA-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