General Information of the Compound
| Compound ID |
CP0538492
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| Compound Name |
[[(2R,3R,4S,5R)-5-[6-(benzylamino)-2-phenylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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| Structure |
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| Formula |
C24H26FN5O8P2
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| Molecular Weight |
593.445
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| Canonical SMILES |
O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@H]1F)n1cnc2c(NCc3ccccc3)nc(nc12)-c1ccccc1
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| InChI |
InChI=1S/C24H26FN5O8P2/c25-18-20(31)17(12-37-40(35,36)14-39(32,33)34)38-24(18)30-13-27-19-22(26-11-15-7-3-1-4-8-15)28-21(29-23(19)30)16-9-5-2-6-10-16/h1-10,13,17-18,20,24,31H,11-12,14H2,(H,35,36)(H,26,28,29)(H2,32,33,34)/t17-,18+,20-,24-/m1/s1
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| InChIKey |
QSFLTRXMFZBSPF-DSPLJNTKSA-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