General Information of the Compound
| Compound ID |
CP0882960
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| Compound Name |
Sodium((2R,3S,4R,5R)-5-(6-(Cyclopentylamino)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methylPhosphate
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| Structure |
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| Formula |
C15H20N5Na2O7P
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| Molecular Weight |
459.307
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| Canonical SMILES |
O=P([O-])([O-])OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O.[Na+].[Na+]
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| InChI |
InChI=1S/C15H22N5O7P.2Na/c21-11-9(5-26-28(23,24)25)27-15(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,16,17,19)(H2,23,24,25);;/q;2*+1/p-2/t9-,11-,12-,15-;;/m1../s1
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| InChIKey |
RJQJJFLJOIQNJX-DEHVKTTJSA-L
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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