General Information of the Compound
| Compound ID |
CP0560803
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| Compound Name |
[[(2R,3S,4R,5R)-5-[6-(benzylamino)-2-methylpurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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| Structure |
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| Formula |
C19H25N5O9P2
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| Molecular Weight |
529.383
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| Canonical SMILES |
Cc1nc(NCc2ccccc2)c2ncn([C@@H]3O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1
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| InChI |
InChI=1S/C19H25N5O9P2/c1-11-22-17(20-7-12-5-3-2-4-6-12)14-18(23-11)24(9-21-14)19-16(26)15(25)13(33-19)8-32-35(30,31)10-34(27,28)29/h2-6,9,13,15-16,19,25-26H,7-8,10H2,1H3,(H,30,31)(H,20,22,23)(H2,27,28,29)/t13-,15-,16-,19-/m1/s1
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| InChIKey |
HAYJMJNOLJZBNW-NVQRDWNXSA-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