General Information of the Compound
| Compound ID |
CP0552222
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| Compound Name |
[(2R,3S,4R,5R)-5-[2-chloro-6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid
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| Structure |
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| Formula |
C15H20ClN8O7P
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| Molecular Weight |
490.801
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| Canonical SMILES |
Cn1cnnc1CNc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COCP(O)(O)=O)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C15H20ClN8O7P/c1-23-5-19-22-8(23)2-17-12-9-13(21-15(16)20-12)24(4-18-9)14-11(26)10(25)7(31-14)3-30-6-32(27,28)29/h4-5,7,10-11,14,25-26H,2-3,6H2,1H3,(H,17,20,21)(H2,27,28,29)/t7-,10-,11-,14-/m1/s1
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| InChIKey |
ZQTDPABHHRSFDF-FRJWGUMJSA-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