General Information of the Compound
| Compound ID |
CP0873318
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| Compound Name |
(2R,3S,4R,5R)-1-(5-(diphosphoryloxymethyl)-3-fluoro-4-hydroxytetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione ammonium salt
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| Structure |
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| Formula |
C9H16FN3O11P2
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| Molecular Weight |
423.183
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| Canonical SMILES |
N.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@@H]2F)c(=O)[nH]1
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| InChI |
InChI=1S/C9H13FN2O11P2.H3N/c10-6-7(14)4(3-21-25(19,20)23-24(16,17)18)22-8(6)12-2-1-5(13)11-9(12)15;/h1-2,4,6-8,14H,3H2,(H,19,20)(H,11,13,15)(H2,16,17,18);1H3/t4-,6+,7-,8-;/m1./s1
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| InChIKey |
KKUJIAZCSIBPDN-NKCNMFRMSA-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