General Information of the Compound
| Compound ID |
CP0454888
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| Compound Name |
2-[(2R,3S,4R,5R)-5-[5-(4-fluorophenyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]ethylphosphonic acid
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| Structure |
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| Formula |
C16H18FN2O8P
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| Molecular Weight |
416.298
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| Canonical SMILES |
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CCP(O)(O)=O)n1cc(-c2ccc(F)cc2)c(=O)[nH]c1=O
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| InChI |
InChI=1S/C16H18FN2O8P/c17-9-3-1-8(2-4-9)10-7-19(16(23)18-14(10)22)15-13(21)12(20)11(27-15)5-6-28(24,25)26/h1-4,7,11-13,15,20-21H,5-6H2,(H,18,22,23)(H2,24,25,26)/t11-,12-,13-,15-/m1/s1
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| InChIKey |
BJYSQYZVTPFKAR-RGCMKSIDSA-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