General Information of the Compound
| Compound ID |
CP0956549
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| Compound Name |
Sodium(1R,2R)-2-((2-Chloro-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-6-yl)amino)-cyclopentylPhosphate
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| Structure |
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| Formula |
C15H19ClN5Na2O8P
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| Molecular Weight |
509.751
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| Canonical SMILES |
O=P([O-])([O-])O[C@@H]1CCC[C@H]1Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.[Na+].[Na+]
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| InChI |
InChI=1S/C15H21ClN5O8P.2Na/c16-15-19-12(18-6-2-1-3-7(6)29-30(25,26)27)9-13(20-15)21(5-17-9)14-11(24)10(23)8(4-22)28-14;;/h5-8,10-11,14,22-24H,1-4H2,(H,18,19,20)(H2,25,26,27);;/q;2*+1/p-2/t6-,7-,8-,10-,11-,14-;;/m1../s1
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| InChIKey |
XRUILILXUNRKIZ-JXEAVRJASA-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