General Information of the Compound
| Compound ID |
CP0926204
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| Compound Name |
5-Iodouridine 5'-Glucose-1'-triphosphate Triethylammonium salt
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| Structure |
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| Formula |
C21H39IN3O20P3
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| Molecular Weight |
873.37
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| Canonical SMILES |
CCN(CC)CC.O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)cc1I
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| InChI |
InChI=1S/C15H24IN2O20P3.C6H15N/c16-4-1-18(15(26)17-12(4)25)13-10(23)8(21)6(34-13)3-33-39(27,28)37-41(31,32)38-40(29,30)36-14-11(24)9(22)7(20)5(2-19)35-14;1-4-7(5-2)6-3/h1,5-11,13-14,19-24H,2-3H2,(H,27,28)(H,29,30)(H,31,32)(H,17,25,26);4-6H2,1-3H3/t5-,6-,7-,8-,9+,10-,11-,13-,14-;/m1./s1
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| InChIKey |
KCQUNADKRARFDK-QAKXCFQNSA-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