General Information of the Compound
| Compound ID |
CP0457171
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| Compound Name |
[(2R,5R)-5-(6-aminopurin-9-yl)-2,5-dihydrofuran-2-yl]oxymethylphosphonic acid
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| Structure |
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| Formula |
C10H12N5O5P
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| Molecular Weight |
313.21
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| Canonical SMILES |
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](OCP(O)(O)=O)C=C1
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| InChI |
InChI=1S/C10H12N5O5P/c11-9-8-10(13-3-12-9)15(4-14-8)6-1-2-7(20-6)19-5-21(16,17)18/h1-4,6-7H,5H2,(H2,11,12,13)(H2,16,17,18)/t6-,7+/m1/s1
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| InChIKey |
BCRLPQARMLGSRS-RQJHMYQMSA-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