General Information of the Compound
| Compound ID |
CP0552521
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| Compound Name |
[[(2R,3R,4S,5R)-5-[2-benzyl-6-(benzylamino)purin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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| Structure |
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| Formula |
C25H28FN5O8P2
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| Molecular Weight |
607.472
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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(Cc3ccccc3)nc12
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| InChI |
InChI=1S/C25H28FN5O8P2/c26-20-22(32)18(13-38-41(36,37)15-40(33,34)35)39-25(20)31-14-28-21-23(27-12-17-9-5-2-6-10-17)29-19(30-24(21)31)11-16-7-3-1-4-8-16/h1-10,14,18,20,22,25,32H,11-13,15H2,(H,36,37)(H,27,29,30)(H2,33,34,35)/t18-,20+,22-,25-/m1/s1
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| InChIKey |
MMTVAQNGCAUYFQ-DPQLKAKJSA-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