General Information of the Compound
| Compound ID |
CP0670059
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| Compound Name |
Sodium((2R,3S,4R,5R)-5-(2-Chloro-6-(cyclopentylamino)-9Hpurin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methylPhosphate
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| Structure |
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| Formula |
C15H19ClN5Na2O7P
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| Molecular Weight |
493.752
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| Canonical SMILES |
O=P([O-])([O-])OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O.[Na+].[Na+]
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| InChI |
InChI=1S/C15H21ClN5O7P.2Na/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(23)10(22)8(28-14)5-27-29(24,25)26;;/h6-8,10-11,14,22-23H,1-5H2,(H,18,19,20)(H2,24,25,26);;/q;2*+1/p-2/t8-,10-,11-,14-;;/m1../s1
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| InChIKey |
ZDDJRBHUFZCORZ-JQCMHQHXSA-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