General Information of the Compound
| Compound ID |
CP0456810
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| Compound Name |
2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[5-(4-methylphenyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]ethylphosphonic acid
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| Structure |
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| Formula |
C17H21N2O8P
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| Molecular Weight |
412.335
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| Canonical SMILES |
Cc1ccc(cc1)-c1cn([C@@H]2O[C@H](CCP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O
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| InChI |
InChI=1S/C17H21N2O8P/c1-9-2-4-10(5-3-9)11-8-19(17(23)18-15(11)22)16-14(21)13(20)12(27-16)6-7-28(24,25)26/h2-5,8,12-14,16,20-21H,6-7H2,1H3,(H,18,22,23)(H2,24,25,26)/t12-,13-,14-,16-/m1/s1
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| InChIKey |
XPWLJVZHVNTSLI-IXYNUQLISA-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