General Information of the Compound
| Compound ID |
CP0891969
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| Compound Name |
Sodium2-((2-Chloro-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-6-yl)amino)-3-phenylpropylPhosphate
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| Structure |
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| Formula |
C19H21ClN5Na2O8P
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| Molecular Weight |
559.811
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| Canonical SMILES |
O=P([O-])([O-])OCC(Cc1ccccc1)Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.[Na+].[Na+]
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| InChI |
InChI=1S/C19H23ClN5O8P.2Na/c20-19-23-16(22-11(8-32-34(29,30)31)6-10-4-2-1-3-5-10)13-17(24-19)25(9-21-13)18-15(28)14(27)12(7-26)33-18;;/h1-5,9,11-12,14-15,18,26-28H,6-8H2,(H,22,23,24)(H2,29,30,31);;/q;2*+1/p-2/t11?,12-,14-,15-,18-;;/m1../s1
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| InChIKey |
CAPDCXKPTQHDMA-GNIAVPHASA-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