General Information of the Compound
| Compound ID |
CP0537858
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| Compound Name |
[(2R,3S,4R,5R)-5-[6-(cyclopentylamino)-2-(phenoxymethyl)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid
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| Structure |
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| Formula |
C23H30N5O8P
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| Molecular Weight |
535.494
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| Canonical SMILES |
O[C@@H]1[C@@H](COCP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)nc(COc3ccccc3)nc12
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| InChI |
InChI=1S/C23H30N5O8P/c29-19-16(10-34-13-37(31,32)33)36-23(20(19)30)28-12-24-18-21(25-14-6-4-5-7-14)26-17(27-22(18)28)11-35-15-8-2-1-3-9-15/h1-3,8-9,12,14,16,19-20,23,29-30H,4-7,10-11,13H2,(H,25,26,27)(H2,31,32,33)/t16-,19-,20-,23-/m1/s1
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| InChIKey |
BZHCLRMZPAKSOA-UGTJMOTHSA-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