General Information of the Compound
| Compound ID |
CP0552223
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| Compound Name |
[(2R,3S,4R,5R)-5-[6-(cyclopentylamino)-2-phenylpurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid
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| Structure |
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| Formula |
C22H28N5O7P
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| Molecular Weight |
505.468
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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(nc12)-c1ccccc1
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| InChI |
InChI=1S/C22H28N5O7P/c28-17-15(10-33-12-35(30,31)32)34-22(18(17)29)27-11-23-16-20(24-14-8-4-5-9-14)25-19(26-21(16)27)13-6-2-1-3-7-13/h1-3,6-7,11,14-15,17-18,22,28-29H,4-5,8-10,12H2,(H,24,25,26)(H2,30,31,32)/t15-,17-,18-,22-/m1/s1
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| InChIKey |
WYEVKHLMQBAGRD-UVLLPENVSA-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