General Information of the Compound
| Compound ID |
CP0421984
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| Compound Name |
[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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| Structure |
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| Formula |
C11H17N5O8P2
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| Molecular Weight |
409.232
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| Canonical SMILES |
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)C[C@H]1O
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| InChI |
InChI=1S/C11H17N5O8P2/c12-9-8-10(14-3-13-9)16(4-15-8)11-7(17)1-6(24-11)2-23-26(21,22)5-25(18,19)20/h3-4,6-7,11,17H,1-2,5H2,(H,21,22)(H2,12,13,14)(H2,18,19,20)/t6-,7+,11+/m0/s1
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| InChIKey |
QPZBKBIWNFFUFL-MVKOHCKWSA-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