General Information of the Compound
| Compound ID |
CP0533887
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| Compound Name |
[(2R,3S,4R,5R)-5-[2-chloro-6-[[(3R)-oxolan-3-yl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid
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| Structure |
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| Formula |
C15H21ClN5O8P
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| Molecular Weight |
465.787
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| Canonical SMILES |
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COCP(O)(O)=O)n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12
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| InChI |
InChI=1S/C15H21ClN5O8P/c16-15-19-12(18-7-1-2-27-3-7)9-13(20-15)21(5-17-9)14-11(23)10(22)8(29-14)4-28-6-30(24,25)26/h5,7-8,10-11,14,22-23H,1-4,6H2,(H,18,19,20)(H2,24,25,26)/t7-,8-,10-,11-,14-/m1/s1
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| InChIKey |
TYIMQQGZVALTGX-BAYCTPFLSA-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