General Information of the Compound
| Compound ID |
CP0403518
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| Compound Name |
2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-naphthalen-2-yl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethylphosphonic acid
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| Structure |
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| Formula |
C20H21N2O8P
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| Molecular Weight |
448.368
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| Canonical SMILES |
O[C@@H]1[C@@H](CCP(O)(O)=O)O[C@H]([C@@H]1O)n1cc(-c2ccc3ccccc3c2)c(=O)[nH]c1=O
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| InChI |
InChI=1S/C20H21N2O8P/c23-16-15(7-8-31(27,28)29)30-19(17(16)24)22-10-14(18(25)21-20(22)26)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9-10,15-17,19,23-24H,7-8H2,(H,21,25,26)(H2,27,28,29)/t15-,16-,17-,19-/m1/s1
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| InChIKey |
WSACNDDIZFLUJY-YWTNHNAXSA-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