General Information of the Compound
| Compound ID |
CP0565235
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| Compound Name |
[(2R,3S,4R,5R)-5-[6-(cyclopentylamino)-2-(2-methylphenyl)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid
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| Structure |
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| Formula |
C23H30N5O7P
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| Molecular Weight |
519.495
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| Canonical SMILES |
Cc1ccccc1-c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](COCP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1
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| InChI |
InChI=1S/C23H30N5O7P/c1-13-6-2-5-9-15(13)20-26-21(25-14-7-3-4-8-14)17-22(27-20)28(11-24-17)23-19(30)18(29)16(35-23)10-34-12-36(31,32)33/h2,5-6,9,11,14,16,18-19,23,29-30H,3-4,7-8,10,12H2,1H3,(H,25,26,27)(H2,31,32,33)/t16-,18-,19-,23-/m1/s1
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| InChIKey |
DAZQHQMCRYZFJH-DYVMYPEFSA-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