General Information of the Compound
| Compound ID |
CP0891813
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| Compound Name |
(2R,3R,4S,5R)-1-(3,4-dihydroxy-5-(diphosphoryloxymethyl)-tetrahydrofuran-2-yl)-5-iodopyrimidine-2,4(1H,3H)-dione ammonium salt
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| Structure |
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| Formula |
C9H16IN3O12P2
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| Molecular Weight |
547.088
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| Canonical SMILES |
N.O=c1cc(I)n([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1
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| InChI |
InChI=1S/C9H13IN2O12P2.H3N/c10-4-1-5(13)11-9(16)12(4)8-7(15)6(14)3(23-8)2-22-26(20,21)24-25(17,18)19;/h1,3,6-8,14-15H,2H2,(H,20,21)(H,11,13,16)(H2,17,18,19);1H3/t3-,6-,7-,8-;/m1./s1
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| InChIKey |
PSOIFXMKXRFSOR-YAQGCOLPSA-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