General Information of the Compound
| Compound ID |
CP0552225
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| Compound Name |
[(2R,3S,4R,5R)-5-[6-(benzylamino)-2-chloropurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
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| Formula |
C17H20ClN5O10P2
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| Molecular Weight |
551.773
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| Canonical SMILES |
O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCc3ccccc3)nc(Cl)nc12
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| InChI |
InChI=1S/C17H20ClN5O10P2/c18-17-21-14(19-6-9-4-2-1-3-5-9)11-15(22-17)23(8-20-11)16-13(25)12(24)10(32-16)7-31-35(29,30)33-34(26,27)28/h1-5,8,10,12-13,16,24-25H,6-7H2,(H,29,30)(H,19,21,22)(H2,26,27,28)/t10-,12-,13-,16-/m1/s1
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| InChIKey |
VULCORDCMXIOCO-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