General Information of the Compound
| Compound ID |
CP0537896
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| Compound Name |
[(2R,3S,4R,5R)-5-[2-chloro-6-[[(1S)-1-phenylethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid
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| Structure |
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| Formula |
C19H23ClN5O7P
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| Molecular Weight |
499.848
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| Canonical SMILES |
C[C@H](Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COCP(O)(O)=O)[C@@H](O)[C@H]1O)c1ccccc1
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| InChI |
InChI=1S/C19H23ClN5O7P/c1-10(11-5-3-2-4-6-11)22-16-13-17(24-19(20)23-16)25(8-21-13)18-15(27)14(26)12(32-18)7-31-9-33(28,29)30/h2-6,8,10,12,14-15,18,26-27H,7,9H2,1H3,(H,22,23,24)(H2,28,29,30)/t10-,12+,14+,15+,18+/m0/s1
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| InChIKey |
LWZHOYAGYANMNW-QHOAOGIMSA-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