General Information of the Compound
| Compound ID |
CP0538494
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| Compound Name |
[[(2R,3S,4R,5R)-5-[2-chloro-6-[cyclopentyl(methyl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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| Structure |
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| Formula |
C17H26ClN5O9P2
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| Molecular Weight |
541.822
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| Canonical SMILES |
CN(C1CCCC1)c1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C17H26ClN5O9P2/c1-22(9-4-2-3-5-9)14-11-15(21-17(18)20-14)23(7-19-11)16-13(25)12(24)10(32-16)6-31-34(29,30)8-33(26,27)28/h7,9-10,12-13,16,24-25H,2-6,8H2,1H3,(H,29,30)(H2,26,27,28)/t10-,12-,13-,16-/m1/s1
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| InChIKey |
WDQXVQHXCAXDQP-XNIJJKJLSA-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