General Information of the Compound
| Compound ID |
CP0554438
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| Compound Name |
[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-[2-oxo-4-(phenylmethoxyamino)pyrimidin-1-yl]oxolan-2-yl]methoxy]phosphoryl]methylphosphonic acid
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| Structure |
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| Formula |
C17H23N3O10P2
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| Molecular Weight |
491.33
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| Canonical SMILES |
O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1cc\c(=N/OCc2ccccc2)[nH]c1=O
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| InChI |
InChI=1S/C17H23N3O10P2/c21-13-8-16(30-14(13)10-29-32(26,27)11-31(23,24)25)20-7-6-15(18-17(20)22)19-28-9-12-4-2-1-3-5-12/h1-7,13-14,16,21H,8-11H2,(H,26,27)(H,18,19,22)(H2,23,24,25)/t13-,14+,16+/m0/s1
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| InChIKey |
DNGZCFZDXJGLBY-SQWLQELKSA-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