General Information of the Compound
| Compound ID |
CP0859088
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| Compound Name |
((2R,3S,4R,5R)-5-(6-(cyclopentylamino)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyltriphosphate tetraammonium salt
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| Structure |
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| Formula |
C15H36N9O13P3
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| Molecular Weight |
643.425
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| Canonical SMILES |
N.N.N.N.O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O
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| InChI |
InChI=1S/C15H24N5O13P3.4H3N/c21-11-9(5-30-35(26,27)33-36(28,29)32-34(23,24)25)31-15(12(11)22)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8;;;;/h6-9,11-12,15,21-22H,1-5H2,(H,26,27)(H,28,29)(H,16,17,19)(H2,23,24,25);4*1H3/t9-,11-,12-,15-;;;;/m1..../s1
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| InChIKey |
HLTBXXMFICXFOB-GLBHFFKESA-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